7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide

C29H29N7O2 — CID 11443563

IUPAC7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CN[C@H](CO)c2ccccc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccncc3)[nH]c12
InChIInChI=1S/C29H29N7O2/c1-2-21-20(15-32-24(17-37)18-7-4-3-5-8-18)9-6-10-23(21)34-25-22(27(30)38)16-33-29-26(25)35-28(36-29)19-11-13-31-14-12-19/h3-14,16,24,32,37H,2,15,17H2,1H3,(H2,30,38)(H2,33,34,35,36)/t24-/m1/s1
InChIKeyOGNIGHWKAZMMTA-XMMPIXPASA-N
MW507.60 g/mol
LogP4.25
Rot. Bonds10

About 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11443563) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11443563
Molecular FormulaC29H29N7O2
Molecular Weight507.60 g/mol
Exact Mass507.24
IUPAC Name7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CN[C@H](CO)c2ccccc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccncc3)[nH]c12
InChIInChI=1S/C29H29N7O2/c1-2-21-20(15-32-24(17-37)18-7-4-3-5-8-18)9-6-10-23(21)34-25-22(27(30)38)16-33-29-26(25)35-28(36-29)19-11-13-31-14-12-19/h3-14,16,24,32,37H,2,15,17H2,1H3,(H2,30,38)(H2,33,34,35,36)/t24-/m1/s1
InChIKeyOGNIGHWKAZMMTA-XMMPIXPASA-N
XLogP4.25
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 54.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 11443563) is 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide is CCc1c(CN[C@H](CO)c2ccccc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccncc3)[nH]c12.
What is the InChIKey of 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OGNIGHWKAZMMTA-XMMPIXPASA-N. The full InChI is InChI=1S/C29H29N7O2/c1-2-21-20(15-32-24(17-37)18-7-4-3-5-8-18)9-6-10-23(21)34-25-22(27(30)38)16-33-29-26(25)35-28(36-29)19-11-13-31-14-12-19/h3-14,16,24,32,37H,2,15,17H2,1H3,(H2,30,38)(H2,33,34,35,36)/t24-/m1/s1.
What are the key properties of 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 4.25, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-ethyl-3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11443563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).