N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

C17H19N7O2 — CID 178024438

IUPACN-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1ncnc(N)c1/C=C/C[C@H](C)NC(=O)c1nc2ncccc2[nH]1
InChIInChI=1S/C17H19N7O2/c1-10(5-3-6-11-13(18)20-9-21-17(11)26-2)22-16(25)15-23-12-7-4-8-19-14(12)24-15/h3-4,6-10H,5H2,1-2H3,(H,22,25)(H2,18,20,21)(H,19,23,24)/b6-3+/t10-/m0/s1
InChIKeyNKAKGTIAIBDEQN-YVGDHZEHSA-N
MW353.39 g/mol
LogP1.56
Rot. Bonds6

About N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 178024438) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID178024438
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1ncnc(N)c1/C=C/C[C@H](C)NC(=O)c1nc2ncccc2[nH]1
InChIInChI=1S/C17H19N7O2/c1-10(5-3-6-11-13(18)20-9-21-17(11)26-2)22-16(25)15-23-12-7-4-8-19-14(12)24-15/h3-4,6-10H,5H2,1-2H3,(H,22,25)(H2,18,20,21)(H,19,23,24)/b6-3+/t10-/m0/s1
InChIKeyNKAKGTIAIBDEQN-YVGDHZEHSA-N
XLogP1.56
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023775
N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024052
N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023743
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023692
N-[(E,2S)-5-(6-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023979
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023761
N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178024274
1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87607314
methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate
CID 140992104
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenylacetate
CID 7305447

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 178024438) is N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is COc1ncnc(N)c1/C=C/C[C@H](C)NC(=O)c1nc2ncccc2[nH]1.
What is the InChIKey of N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is NKAKGTIAIBDEQN-YVGDHZEHSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-10(5-3-6-11-13(18)20-9-21-17(11)26-2)22-16(25)15-23-12-7-4-8-19-14(12)24-15/h3-4,6-10H,5H2,1-2H3,(H,22,25)(H2,18,20,21)(H,19,23,24)/b6-3+/t10-/m0/s1.
What are the key properties of N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 178024438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).