N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C101H108Cl4F4N28 — CID 157059885

IUPACN-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccnc2[nH]cc(N3CCNCC3C)c12.CC1CN(c2c[nH]c3nccc(Nc4nc(-c5cc(Cl)ccc5F)ncc4C(C)C)c23)CCN1.CC1CNCCN1c1c[nH]c2nccc(Nc3nc(-c4cc(Cl)ccc4F)ncc3C3CC3)c12.Cc1nc(-c2cc(Cl)ccc2F)nc(Nc2ccnc3[nH]cc(N4CCNCC4C)c23)c1C(C)C
InChIInChI=1S/C26H29ClFN7.C25H25ClFN7.2C25H27ClFN7/c1-14(2)22-16(4)32-24(18-11-17(27)5-6-19(18)28)34-26(22)33-20-7-8-30-25-23(20)21(13-31-25)35-10-9-29-12-15(35)3;1-14-11-28-8-9-34(14)21-13-31-25-22(21)20(6-7-29-25)32-24-18(15-2-3-15)12-30-23(33-24)17-10-16(26)4-5-19(17)27;1-14(2)18-11-30-23(17-10-16(26)4-5-19(17)27)33-24(18)32-20-6-7-29-25-22(20)21(12-31-25)34-9-8-28-15(3)13-34;1-14(2)18-12-30-23(17-10-16(26)4-5-19(17)27)33-24(18)32-20-6-7-29-25-22(20)21(13-31-25)34-9-8-28-11-15(34)3/h5-8,11,13-15,29H,9-10,12H2,1-4H3,(H2,30,31,32,33,34);4-7,10,12-15,28H,2-3,8-9,11H2,1H3,(H2,29,30,31,32,33);4-7,10-12,14-15,28H,8-9,13H2,1-3H3,(H2,29,30,31,32,33);4-7,10,12-15,28H,8-9,11H2,1-3H3,(H2,29,30,31,32,33)
InChIKeyABFBRKNJOYQTOR-UHFFFAOYSA-N
MW1931.97 g/mol
LogP21.97
Rot. Bonds20

About N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 157059885) has the molecular formula C101H108Cl4F4N28 and a molecular weight of 1931.97 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID157059885
Molecular FormulaC101H108Cl4F4N28
Molecular Weight1931.97 g/mol
Exact Mass1928.80
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccnc2[nH]cc(N3CCNCC3C)c12.CC1CN(c2c[nH]c3nccc(Nc4nc(-c5cc(Cl)ccc5F)ncc4C(C)C)c23)CCN1.CC1CNCCN1c1c[nH]c2nccc(Nc3nc(-c4cc(Cl)ccc4F)ncc3C3CC3)c12.Cc1nc(-c2cc(Cl)ccc2F)nc(Nc2ccnc3[nH]cc(N4CCNCC4C)c23)c1C(C)C
InChIInChI=1S/C26H29ClFN7.C25H25ClFN7.2C25H27ClFN7/c1-14(2)22-16(4)32-24(18-11-17(27)5-6-19(18)28)34-26(22)33-20-7-8-30-25-23(20)21(13-31-25)35-10-9-29-12-15(35)3;1-14-11-28-8-9-34(14)21-13-31-25-22(21)20(6-7-29-25)32-24-18(15-2-3-15)12-30-23(33-24)17-10-16(26)4-5-19(17)27;1-14(2)18-11-30-23(17-10-16(26)4-5-19(17)27)33-24(18)32-20-6-7-29-25-22(20)21(12-31-25)34-9-8-28-15(3)13-34;1-14(2)18-12-30-23(17-10-16(26)4-5-19(17)27)33-24(18)32-20-6-7-29-25-22(20)21(13-31-25)34-9-8-28-11-15(34)3/h5-8,11,13-15,29H,9-10,12H2,1-4H3,(H2,30,31,32,33,34);4-7,10,12-15,28H,2-3,8-9,11H2,1H3,(H2,29,30,31,32,33);4-7,10-12,14-15,28H,8-9,13H2,1-3H3,(H2,29,30,31,32,33);4-7,10,12-15,28H,8-9,11H2,1-3H3,(H2,29,30,31,32,33)
InChIKeyABFBRKNJOYQTOR-UHFFFAOYSA-N
XLogP21.97
TPSA327.04 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001931.97
LogP ≤ 521.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 157059885) is N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccnc2[nH]cc(N3CCNCC3C)c12.CC1CN(c2c[nH]c3nccc(Nc4nc(-c5cc(Cl)ccc5F)ncc4C(C)C)c23)CCN1.CC1CNCCN1c1c[nH]c2nccc(Nc3nc(-c4cc(Cl)ccc4F)ncc3C3CC3)c12.Cc1nc(-c2cc(Cl)ccc2F)nc(Nc2ccnc3[nH]cc(N4CCNCC4C)c23)c1C(C)C.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is ABFBRKNJOYQTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN7.C25H25ClFN7.2C25H27ClFN7/c1-14(2)22-16(4)32-24(18-11-17(27)5-6-19(18)28)34-26(22)33-20-7-8-30-25-23(20)21(13-31-25)35-10-9-29-12-15(35)3;1-14-11-28-8-9-34(14)21-13-31-25-22(21)20(6-7-29-25)32-24-18(15-2-3-15)12-30-23(33-24)17-10-16(26)4-5-19(17)27;1-14(2)18-11-30-23(17-10-16(26)4-5-19(17)27)33-24(18)32-20-6-7-29-25-22(20)21(12-31-25)34-9-8-28-15(3)13-34;1-14(2)18-12-30-23(17-10-16(26)4-5-19(17)27)33-24(18)32-20-6-7-29-25-22(20)21(13-31-25)34-9-8-28-11-15(34)3/h5-8,11,13-15,29H,9-10,12H2,1-4H3,(H2,30,31,32,33,34);4-7,10,12-15,28H,2-3,8-9,11H2,1H3,(H2,29,30,31,32,33);4-7,10-12,14-15,28H,8-9,13H2,1-3H3,(H2,29,30,31,32,33);4-7,10,12-15,28H,8-9,11H2,1-3H3,(H2,29,30,31,32,33).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 1931.97 g/mol, XLogP of 21.97, 20 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(2-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(3-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157059885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).