[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C95H83F5N26O — CID 159635401

IUPAC[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cccnc3)nc12.Fc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)n3ncc(C(F)(F)F)c3n2)c1.N#Cc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)n3nccc3n2)c1.O=C(c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12)N1CCCCC1
InChIInChI=1S/C27H26FN7O.C24H24N6.C22H16F4N6.C22H17N7/c28-20-12-19(14-29-16-20)24-13-25(30-9-8-18-15-31-23-7-3-2-6-21(18)23)35-26(33-24)22(17-32-35)27(36)34-10-4-1-5-11-34;1-16(2)20-15-28-30-23(12-22(29-24(20)30)18-6-5-10-25-13-18)26-11-9-17-14-27-21-8-4-3-7-19(17)21;23-15-7-14(9-27-11-15)19-8-20(32-21(31-19)17(12-30-32)22(24,25)26)28-6-5-13-10-29-18-4-2-1-3-16(13)18;23-11-15-9-17(13-24-12-15)20-10-22(29-21(28-20)6-8-27-29)25-7-5-16-14-26-19-4-2-1-3-18(16)19/h2-3,6-7,12-17,30-31H,1,4-5,8-11H2;3-8,10,12-16,26-27H,9,11H2,1-2H3;1-4,7-12,28-29H,5-6H2;1-4,6,8-10,12-14,25-26H,5,7H2
InChIKeyMPRFQDVIESJFKK-UHFFFAOYSA-N
MW1699.88 g/mol
LogP18.63
Rot. Bonds22

About [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159635401) has the molecular formula C95H83F5N26O and a molecular weight of 1699.88 g/mol. Its IUPAC name is [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159635401
Molecular FormulaC95H83F5N26O
Molecular Weight1699.88 g/mol
Exact Mass1698.72
IUPAC Name[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cccnc3)nc12.Fc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)n3ncc(C(F)(F)F)c3n2)c1.N#Cc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)n3nccc3n2)c1.O=C(c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12)N1CCCCC1
InChIInChI=1S/C27H26FN7O.C24H24N6.C22H16F4N6.C22H17N7/c28-20-12-19(14-29-16-20)24-13-25(30-9-8-18-15-31-23-7-3-2-6-21(18)23)35-26(33-24)22(17-32-35)27(36)34-10-4-1-5-11-34;1-16(2)20-15-28-30-23(12-22(29-24(20)30)18-6-5-10-25-13-18)26-11-9-17-14-27-21-8-4-3-7-19(17)21;23-15-7-14(9-27-11-15)19-8-20(32-21(31-19)17(12-30-32)22(24,25)26)28-6-5-13-10-29-18-4-2-1-3-16(13)18;23-11-15-9-17(13-24-12-15)20-10-22(29-21(28-20)6-8-27-29)25-7-5-16-14-26-19-4-2-1-3-18(16)19/h2-3,6-7,12-17,30-31H,1,4-5,8-11H2;3-8,10,12-16,26-27H,9,11H2,1-2H3;1-4,7-12,28-29H,5-6H2;1-4,6,8-10,12-14,25-26H,5,7H2
InChIKeyMPRFQDVIESJFKK-UHFFFAOYSA-N
XLogP18.63
TPSA327.70 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001699.88
LogP ≤ 518.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17021693
5-amino-N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134272471
5-amino-N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134272474
5-amino-N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134272654
5-amino-N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134272659
5-amino-N-[(1S,3E)-3-[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]iminocyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134272814
3-amino-N-[3-[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134322346
3-amino-N-[(1R,3S)-3-[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134322347
3-amino-N-[(1S)-3-[[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-phenyl-2-pyridinyl]amino]methyl]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134322351
3-amino-N-[(1S,3R)-3-[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-phenyl-2-pyridinyl]amino]cyclohexyl]-1-methylpyrazole-4-carboxamide
CID 134322742
5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135363278
[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 135363413

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159635401) is [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cccnc3)nc12.Fc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)n3ncc(C(F)(F)F)c3n2)c1.N#Cc1cncc(-c2cc(NCCc3c[nH]c4ccccc34)n3nccc3n2)c1.O=C(c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12)N1CCCCC1.
What is the InChIKey of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MPRFQDVIESJFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O.C24H24N6.C22H16F4N6.C22H17N7/c28-20-12-19(14-29-16-20)24-13-25(30-9-8-18-15-31-23-7-3-2-6-21(18)23)35-26(33-24)22(17-32-35)27(36)34-10-4-1-5-11-34;1-16(2)20-15-28-30-23(12-22(29-24(20)30)18-6-5-10-25-13-18)26-11-9-17-14-27-21-8-4-3-7-19(17)21;23-15-7-14(9-27-11-15)19-8-20(32-21(31-19)17(12-30-32)22(24,25)26)28-6-5-13-10-29-18-4-2-1-3-16(13)18;23-11-15-9-17(13-24-12-15)20-10-22(29-21(28-20)6-8-27-29)25-7-5-16-14-26-19-4-2-1-3-18(16)19/h2-3,6-7,12-17,30-31H,1,4-5,8-11H2;3-8,10,12-16,26-27H,9,11H2,1-2H3;1-4,7-12,28-29H,5-6H2;1-4,6,8-10,12-14,25-26H,5,7H2.
What are the key properties of [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1699.88 g/mol, XLogP of 18.63, 22 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159635401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).