N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

C29H25ClN4O4 — CID 85472493

IUPACN-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OCC5CCOCC5)cc4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C29H25ClN4O4/c30-24-8-5-21(32-29(35)26-2-1-11-37-26)15-23(24)27-33-25-14-20(16-31-28(25)34-27)19-3-6-22(7-4-19)38-17-18-9-12-36-13-10-18/h1-8,11,14-16,18H,9-10,12-13,17H2,(H,32,35)(H,31,33,34)
InChIKeyGJNFXLBYNALIGD-UHFFFAOYSA-N
MW529.00 g/mol
LogP6.60
Rot. Bonds7

About N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 85472493) has the molecular formula C29H25ClN4O4 and a molecular weight of 529.00 g/mol. Its IUPAC name is N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
PubChem CID85472493
Molecular FormulaC29H25ClN4O4
Molecular Weight529.00 g/mol
Exact Mass528.16
IUPAC NameN-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OCC5CCOCC5)cc4)cc3[nH]2)c1)c1ccco1
InChIInChI=1S/C29H25ClN4O4/c30-24-8-5-21(32-29(35)26-2-1-11-37-26)15-23(24)27-33-25-14-20(16-31-28(25)34-27)19-3-6-22(7-4-19)38-17-18-9-12-36-13-10-18/h1-8,11,14-16,18H,9-10,12-13,17H2,(H,32,35)(H,31,33,34)
InChIKeyGJNFXLBYNALIGD-UHFFFAOYSA-N
XLogP6.60
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.00
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 85472493) is N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccc(OCC5CCOCC5)cc4)cc3[nH]2)c1)c1ccco1.
What is the InChIKey of N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is GJNFXLBYNALIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O4/c30-24-8-5-21(32-29(35)26-2-1-11-37-26)15-23(24)27-33-25-14-20(16-31-28(25)34-27)19-3-6-22(7-4-19)38-17-18-9-12-36-13-10-18/h1-8,11,14-16,18H,9-10,12-13,17H2,(H,32,35)(H,31,33,34).
What are the key properties of N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 529.00 g/mol, XLogP of 6.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-[4-(oxan-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 85472493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).