N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C20H21N9O2 — CID 134455322

IUPACN-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C20H21N9O2/c1-10-21-16-14(9-15(24-19(16)22-10)25-20(30)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-26-28-29(2)27-18/h4-6,9,11H,7-8H2,1-3H3,(H3,21,22,23,24,25,30)
InChIKeyHUGIEYSGGBJGGD-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.56
Rot. Bonds6

About N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455322) has the molecular formula C20H21N9O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455322
Molecular FormulaC20H21N9O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC NameN-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C20H21N9O2/c1-10-21-16-14(9-15(24-19(16)22-10)25-20(30)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-26-28-29(2)27-18/h4-6,9,11H,7-8H2,1-3H3,(H3,21,22,23,24,25,30)
InChIKeyHUGIEYSGGBJGGD-UHFFFAOYSA-N
XLogP2.56
TPSA135.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455322) is N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nnn(C)n1.
What is the InChIKey of N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is HUGIEYSGGBJGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O2/c1-10-21-16-14(9-15(24-19(16)22-10)25-20(30)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-26-28-29(2)27-18/h4-6,9,11H,7-8H2,1-3H3,(H3,21,22,23,24,25,30).
What are the key properties of N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).