N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine

C42H32Cl2F2N10 — CID 123140072

IUPACN-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CC4c4cc(F)c(-c5cc(Nc6ccnc7cnn(CC8CC8)c67)ccn5)cc4Cl)nc23)ccn1
InChIInChI=1S/C42H32Cl2F2N10/c43-25-3-4-33(45)30(14-25)37-15-26(5-9-47-37)52-35-7-11-50-40-22-55(54-41(35)40)21-24-13-28(24)29-18-34(46)31(17-32(29)44)38-16-27(6-10-48-38)53-36-8-12-49-39-19-51-56(42(36)39)20-23-1-2-23/h3-12,14-19,22-24,28H,1-2,13,20-21H2,(H,47,52)(H,48,49,53)
InChIKeyCZVRVLNFGOFEQR-UHFFFAOYSA-N
MW785.69 g/mol
LogP10.59
Rot. Bonds11

About N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 123140072) has the molecular formula C42H32Cl2F2N10 and a molecular weight of 785.69 g/mol. Its IUPAC name is N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID123140072
Molecular FormulaC42H32Cl2F2N10
Molecular Weight785.69 g/mol
Exact Mass784.22
IUPAC NameN-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CC4c4cc(F)c(-c5cc(Nc6ccnc7cnn(CC8CC8)c67)ccn5)cc4Cl)nc23)ccn1
InChIInChI=1S/C42H32Cl2F2N10/c43-25-3-4-33(45)30(14-25)37-15-26(5-9-47-37)52-35-7-11-50-40-22-55(54-41(35)40)21-24-13-28(24)29-18-34(46)31(17-32(29)44)38-16-27(6-10-48-38)53-36-8-12-49-39-19-51-56(42(36)39)20-23-1-2-23/h3-12,14-19,22-24,28H,1-2,13,20-21H2,(H,47,52)(H,48,49,53)
InChIKeyCZVRVLNFGOFEQR-UHFFFAOYSA-N
XLogP10.59
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.69
LogP ≤ 510.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine with MolForge

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671255
US11530210, Example 195
CID 155400004
N-(2,6-dichloro-3-fluorobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-1-amine
CID 46235049
1-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 54596150
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54669941
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54669942
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridin-7-amine
CID 54671065
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-propylpyrazolo[4,3-b]pyridin-7-amine
CID 54671066
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
CID 54671067
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-1-amine
CID 58532258
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine
CID 58532329

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 123140072) is N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CC4c4cc(F)c(-c5cc(Nc6ccnc7cnn(CC8CC8)c67)ccn5)cc4Cl)nc23)ccn1.
What is the InChIKey of N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is CZVRVLNFGOFEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Cl2F2N10/c43-25-3-4-33(45)30(14-25)37-15-26(5-9-47-37)52-35-7-11-50-40-22-55(54-41(35)40)21-24-13-28(24)29-18-34(46)31(17-32(29)44)38-16-27(6-10-48-38)53-36-8-12-49-39-19-51-56(42(36)39)20-23-1-2-23/h3-12,14-19,22-24,28H,1-2,13,20-21H2,(H,47,52)(H,48,49,53).
What are the key properties of N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 785.69 g/mol, XLogP of 10.59, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 123140072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).