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

C22H23F2N5O4S — CID 134455325

IUPACN-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1cc(C2CCOC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C22H23F2N5O4S/c1-34(31,32)16-8-12(13-6-7-33-10-13)4-5-14(16)25-15-9-17(27-22(30)11-2-3-11)26-20-18(15)28-21(29-20)19(23)24/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyUWXZQLROHGZOGK-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.89
Rot. Bonds7

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

N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455325) has the molecular formula C22H23F2N5O4S and a molecular weight of 491.52 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455325
Molecular FormulaC22H23F2N5O4S
Molecular Weight491.52 g/mol
Exact Mass491.14
IUPAC NameN-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1cc(C2CCOC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C22H23F2N5O4S/c1-34(31,32)16-8-12(13-6-7-33-10-13)4-5-14(16)25-15-9-17(27-22(30)11-2-3-11)26-20-18(15)28-21(29-20)19(23)24/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyUWXZQLROHGZOGK-UHFFFAOYSA-N
XLogP3.89
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.89
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-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455325) is N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CS(=O)(=O)c1cc(C2CCOC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is UWXZQLROHGZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O4S/c1-34(31,32)16-8-12(13-6-7-33-10-13)4-5-14(16)25-15-9-17(27-22(30)11-2-3-11)26-20-18(15)28-21(29-20)19(23)24/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3,(H3,25,26,27,28,29,30).
What are the key properties of N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 491.52 g/mol, XLogP of 3.89, 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-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).