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

C22H21F2N7O2 — CID 134455707

IUPACN-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)cccc1-c1cnn(C)c1
InChIInChI=1S/C22H21F2N7O2/c1-31-10-12(9-25-31)13-4-3-5-14(18(13)33-2)26-15-8-16(28-22(32)11-6-7-11)27-20-17(15)29-21(30-20)19(23)24/h3-5,8-11,19H,6-7H2,1-2H3,(H3,26,27,28,29,30,32)
InChIKeyPFMTYEFYTSZQHC-UHFFFAOYSA-N
MW453.45 g/mol
LogP4.40
Rot. Bonds7

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

N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455707) has the molecular formula C22H21F2N7O2 and a molecular weight of 453.45 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455707
Molecular FormulaC22H21F2N7O2
Molecular Weight453.45 g/mol
Exact Mass453.17
IUPAC NameN-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)cccc1-c1cnn(C)c1
InChIInChI=1S/C22H21F2N7O2/c1-31-10-12(9-25-31)13-4-3-5-14(18(13)33-2)26-15-8-16(28-22(32)11-6-7-11)27-20-17(15)29-21(30-20)19(23)24/h3-5,8-11,19H,6-7H2,1-2H3,(H3,26,27,28,29,30,32)
InChIKeyPFMTYEFYTSZQHC-UHFFFAOYSA-N
XLogP4.40
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455707) is N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)cccc1-c1cnn(C)c1.
What is the InChIKey of N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is PFMTYEFYTSZQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O2/c1-31-10-12(9-25-31)13-4-3-5-14(18(13)33-2)26-15-8-16(28-22(32)11-6-7-11)27-20-17(15)29-21(30-20)19(23)24/h3-5,8-11,19H,6-7H2,1-2H3,(H3,26,27,28,29,30,32).
What are the key properties of N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 453.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).