N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C121H123ClN32O3S — CID 160915466

IUPACN-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(CO)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccc(Cl)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccncc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1ccc(CNc2cc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1
InChIInChI=1S/C25H26N6O2S.C25H26N6O.C24H23ClN6.C24H25N7.C23H23N7/c1-15-12-23(26-14-18-6-9-20(10-7-18)34(5,32)33)31-25(27-15)24(17(3)29-31)19-8-11-22-21(13-19)16(2)28-30(22)4;1-15-11-23(26-13-18-5-7-19(14-32)8-6-18)31-25(27-15)24(17(3)29-31)20-9-10-22-21(12-20)16(2)28-30(22)4;1-14-11-22(26-13-17-5-8-19(25)9-6-17)31-24(27-14)23(16(3)29-31)18-7-10-21-20(12-18)15(2)28-30(21)4;1-14-6-7-18(12-25-14)13-26-22-10-15(2)27-24-23(17(4)29-31(22)24)19-8-9-21-20(11-19)16(3)28-30(21)5;1-14-11-21(25-13-17-7-9-24-10-8-17)30-23(26-14)22(16(3)28-30)18-5-6-20-19(12-18)15(2)27-29(20)4/h6-13,26H,14H2,1-5H3;5-12,26,32H,13-14H2,1-4H3;5-12,26H,13H2,1-4H3;6-12,26H,13H2,1-5H3;5-12,25H,13H2,1-4H3
InChIKeySRIPSACJGHIWJP-UHFFFAOYSA-N
MW2141.06 g/mol
LogP22.75
Rot. Bonds22

About N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160915466) has the molecular formula C121H123ClN32O3S and a molecular weight of 2141.06 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID160915466
Molecular FormulaC121H123ClN32O3S
Molecular Weight2141.06 g/mol
Exact Mass2138.99
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(CO)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccc(Cl)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccncc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1ccc(CNc2cc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1
InChIInChI=1S/C25H26N6O2S.C25H26N6O.C24H23ClN6.C24H25N7.C23H23N7/c1-15-12-23(26-14-18-6-9-20(10-7-18)34(5,32)33)31-25(27-15)24(17(3)29-31)19-8-11-22-21(13-19)16(2)28-30(22)4;1-15-11-23(26-13-18-5-7-19(14-32)8-6-18)31-25(27-15)24(17(3)29-31)20-9-10-22-21(12-20)16(2)28-30(22)4;1-14-11-22(26-13-17-5-8-19(25)9-6-17)31-24(27-14)23(16(3)29-31)18-7-10-21-20(12-18)15(2)28-30(21)4;1-14-6-7-18(12-25-14)13-26-22-10-15(2)27-24-23(17(4)29-31(22)24)19-8-9-21-20(11-19)16(3)28-30(21)5;1-14-11-21(25-13-17-7-9-24-10-8-17)30-23(26-14)22(16(3)28-30)18-5-6-20-19(12-18)15(2)27-29(20)4/h6-13,26H,14H2,1-5H3;5-12,26,32H,13-14H2,1-4H3;5-12,26H,13H2,1-4H3;6-12,26H,13H2,1-5H3;5-12,25H,13H2,1-4H3
InChIKeySRIPSACJGHIWJP-UHFFFAOYSA-N
XLogP22.75
TPSA380.35 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.06
LogP ≤ 522.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 160915466) is N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccc(CO)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccc(Cl)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1cc(NCc2ccncc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1ccc(CNc2cc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SRIPSACJGHIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S.C25H26N6O.C24H23ClN6.C24H25N7.C23H23N7/c1-15-12-23(26-14-18-6-9-20(10-7-18)34(5,32)33)31-25(27-15)24(17(3)29-31)19-8-11-22-21(13-19)16(2)28-30(22)4;1-15-11-23(26-13-18-5-7-19(14-32)8-6-18)31-25(27-15)24(17(3)29-31)20-9-10-22-21(12-20)16(2)28-30(22)4;1-14-11-22(26-13-17-5-8-19(25)9-6-17)31-24(27-14)23(16(3)29-31)18-7-10-21-20(12-18)15(2)28-30(21)4;1-14-6-7-18(12-25-14)13-26-22-10-15(2)27-24-23(17(4)29-31(22)24)19-8-9-21-20(11-19)16(3)28-30(21)5;1-14-11-21(25-13-17-7-9-24-10-8-17)30-23(26-14)22(16(3)28-30)18-5-6-20-19(12-18)15(2)27-29(20)4/h6-13,26H,14H2,1-5H3;5-12,26,32H,13-14H2,1-4H3;5-12,26H,13H2,1-4H3;6-12,26H,13H2,1-5H3;5-12,25H,13H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2141.06 g/mol, XLogP of 22.75, 22 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160915466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).