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

C26H29N7O4S — CID 134455501

IUPACN-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(-c4ccn(C5CCOCC5)n4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C26H29N7O4S/c1-15-27-24-21(14-23(30-25(24)28-15)31-26(34)16-3-4-16)29-20-6-5-17(13-22(20)38(2,35)36)19-7-10-33(32-19)18-8-11-37-12-9-18/h5-7,10,13-14,16,18H,3-4,8-9,11-12H2,1-2H3,(H3,27,28,29,30,31,34)
InChIKeyRDFHYMQTMARFQG-UHFFFAOYSA-N
MW535.63 g/mol
LogP3.98
Rot. Bonds7

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

N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455501) has the molecular formula C26H29N7O4S and a molecular weight of 535.63 g/mol. Its IUPAC name is N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455501
Molecular FormulaC26H29N7O4S
Molecular Weight535.63 g/mol
Exact Mass535.20
IUPAC NameN-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(-c4ccn(C5CCOCC5)n4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C26H29N7O4S/c1-15-27-24-21(14-23(30-25(24)28-15)31-26(34)16-3-4-16)29-20-6-5-17(13-22(20)38(2,35)36)19-7-10-33(32-19)18-8-11-37-12-9-18/h5-7,10,13-14,16,18H,3-4,8-9,11-12H2,1-2H3,(H3,27,28,29,30,31,34)
InChIKeyRDFHYMQTMARFQG-UHFFFAOYSA-N
XLogP3.98
TPSA143.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.63
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455501) is N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is Cc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(-c4ccn(C5CCOCC5)n4)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is RDFHYMQTMARFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4S/c1-15-27-24-21(14-23(30-25(24)28-15)31-26(34)16-3-4-16)29-20-6-5-17(13-22(20)38(2,35)36)19-7-10-33(32-19)18-8-11-37-12-9-18/h5-7,10,13-14,16,18H,3-4,8-9,11-12H2,1-2H3,(H3,27,28,29,30,31,34).
What are the key properties of N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 535.63 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-7-[2-methylsulfonyl-4-[1-(oxan-4-yl)pyrazol-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).