N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide

C35H32FN5O4 — CID 121249838

IUPACN-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide
SMILESCc1c(NC(=O)c2ccc3c(c2)OCC3(C)C)cc(F)cc1-c1ccnc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C35H32FN5O4/c1-20-26(17-24(36)18-28(20)38-33(42)23-8-9-27-29(16-23)45-19-35(27,2)3)25-10-11-37-32-30(25)39-31(40-32)21-4-6-22(7-5-21)34(43)41-12-14-44-15-13-41/h4-11,16-18H,12-15,19H2,1-3H3,(H,38,42)(H,37,39,40)
InChIKeyKFFZSKKUCWKATE-UHFFFAOYSA-N
MW605.67 g/mol
LogP6.13
Rot. Bonds5

About N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide

N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide (PubChem CID 121249838) has the molecular formula C35H32FN5O4 and a molecular weight of 605.67 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide
PubChem CID121249838
Molecular FormulaC35H32FN5O4
Molecular Weight605.67 g/mol
Exact Mass605.24
IUPAC NameN-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide
SMILESCc1c(NC(=O)c2ccc3c(c2)OCC3(C)C)cc(F)cc1-c1ccnc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C35H32FN5O4/c1-20-26(17-24(36)18-28(20)38-33(42)23-8-9-27-29(16-23)45-19-35(27,2)3)25-10-11-37-32-30(25)39-31(40-32)21-4-6-22(7-5-21)34(43)41-12-14-44-15-13-41/h4-11,16-18H,12-15,19H2,1-3H3,(H,38,42)(H,37,39,40)
InChIKeyKFFZSKKUCWKATE-UHFFFAOYSA-N
XLogP6.13
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.67
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?
The IUPAC name of N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide (CID 121249838) is N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide is Cc1c(NC(=O)c2ccc3c(c2)OCC3(C)C)cc(F)cc1-c1ccnc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)[nH]c12.
What is the InChIKey of N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?
The InChIKey is KFFZSKKUCWKATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN5O4/c1-20-26(17-24(36)18-28(20)38-33(42)23-8-9-27-29(16-23)45-19-35(27,2)3)25-10-11-37-32-30(25)39-31(40-32)21-4-6-22(7-5-21)34(43)41-12-14-44-15-13-41/h4-11,16-18H,12-15,19H2,1-3H3,(H,38,42)(H,37,39,40).
What are the key properties of N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?
N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide has a molecular weight of 605.67 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 121249838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).