6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine

C26H36ClN7O — CID 134177392

IUPAC6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCCCN1CC[C@H](Nc2c(Cl)cnc3nc(-c4ccc(N5CCN(CCOC)CC5)cc4)[nH]c23)C1
InChIInChI=1S/C26H36ClN7O/c1-3-9-33-10-8-20(18-33)29-23-22(27)17-28-26-24(23)30-25(31-26)19-4-6-21(7-5-19)34-13-11-32(12-14-34)15-16-35-2/h4-7,17,20H,3,8-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m0/s1
InChIKeyNRFGFWOBLKFHKR-FQEVSTJZSA-N
MW498.08 g/mol
LogP3.94
Rot. Bonds9

About 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134177392) has the molecular formula C26H36ClN7O and a molecular weight of 498.08 g/mol. Its IUPAC name is 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID134177392
Molecular FormulaC26H36ClN7O
Molecular Weight498.08 g/mol
Exact Mass497.27
IUPAC Name6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCCCN1CC[C@H](Nc2c(Cl)cnc3nc(-c4ccc(N5CCN(CCOC)CC5)cc4)[nH]c23)C1
InChIInChI=1S/C26H36ClN7O/c1-3-9-33-10-8-20(18-33)29-23-22(27)17-28-26-24(23)30-25(31-26)19-4-6-21(7-5-19)34-13-11-32(12-14-34)15-16-35-2/h4-7,17,20H,3,8-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m0/s1
InChIKeyNRFGFWOBLKFHKR-FQEVSTJZSA-N
XLogP3.94
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.08
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177149
6-chloro-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177128
6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177012
4-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(3-methoxypropyl)piperazin-2-one
CID 134177001
3-[4-[[6-chloro-2-[4-[4-(2-ethoxyethyl)-3-oxopiperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]piperidin-1-yl]propanenitrile
CID 134177468
6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177275
1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
CID 134177207
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177426
2-[4-[6-chloro-7-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446497
1-[4-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 134177434
4-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-propan-2-yloxyethyl)piperazin-2-one
CID 134177138
6-bromo-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177273

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 134177392) is 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine is CCCN1CC[C@H](Nc2c(Cl)cnc3nc(-c4ccc(N5CCN(CCOC)CC5)cc4)[nH]c23)C1.
What is the InChIKey of 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is NRFGFWOBLKFHKR-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H36ClN7O/c1-3-9-33-10-8-20(18-33)29-23-22(27)17-28-26-24(23)30-25(31-26)19-4-6-21(7-5-19)34-13-11-32(12-14-34)15-16-35-2/h4-7,17,20H,3,8-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m0/s1.
What are the key properties of 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 498.08 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134177392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).