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

C20H18F3N9O2 — CID 134455340

IUPACN-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C20H18F3N9O2/c1-32-30-16(29-31-32)10-4-3-5-11(15(10)34-2)24-12-8-13(26-18(33)9-6-7-9)25-17-14(12)27-19(28-17)20(21,22)23/h3-5,8-9H,6-7H2,1-2H3,(H3,24,25,26,27,28,33)
InChIKeyUQNOGYZBFAOYDF-UHFFFAOYSA-N
MW473.42 g/mol
LogP3.27
Rot. Bonds6

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

N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455340) has the molecular formula C20H18F3N9O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455340
Molecular FormulaC20H18F3N9O2
Molecular Weight473.42 g/mol
Exact Mass473.15
IUPAC NameN-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C20H18F3N9O2/c1-32-30-16(29-31-32)10-4-3-5-11(15(10)34-2)24-12-8-13(26-18(33)9-6-7-9)25-17-14(12)27-19(28-17)20(21,22)23/h3-5,8-9H,6-7H2,1-2H3,(H3,24,25,26,27,28,33)
InChIKeyUQNOGYZBFAOYDF-UHFFFAOYSA-N
XLogP3.27
TPSA135.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.27
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-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455340) is N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-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-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)(F)F)[nH]c23)cccc1-c1nnn(C)n1.
What is the InChIKey of N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is UQNOGYZBFAOYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N9O2/c1-32-30-16(29-31-32)10-4-3-5-11(15(10)34-2)24-12-8-13(26-18(33)9-6-7-9)25-17-14(12)27-19(28-17)20(21,22)23/h3-5,8-9H,6-7H2,1-2H3,(H3,24,25,26,27,28,33).
What are the key properties of N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 473.42 g/mol, XLogP of 3.27, 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-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).