N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide

C25H24ClFN6O4 — CID 85472053

IUPACN-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
SMILESO=C(CCCN1CCOCC1)Nc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C25H24ClFN6O4/c26-18-4-3-15(30-25(35)20-5-6-21(27)37-20)12-17(18)23-31-19-13-16(14-28-24(19)32-23)29-22(34)2-1-7-33-8-10-36-11-9-33/h3-6,12-14H,1-2,7-11H2,(H,29,34)(H,30,35)(H,28,31,32)
InChIKeyPRYKXWJLDCJQJD-UHFFFAOYSA-N
MW526.96 g/mol
LogP4.31
Rot. Bonds8

About N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide

N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide (PubChem CID 85472053) has the molecular formula C25H24ClFN6O4 and a molecular weight of 526.96 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
PubChem CID85472053
Molecular FormulaC25H24ClFN6O4
Molecular Weight526.96 g/mol
Exact Mass526.15
IUPAC NameN-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
SMILESO=C(CCCN1CCOCC1)Nc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C25H24ClFN6O4/c26-18-4-3-15(30-25(35)20-5-6-21(27)37-20)12-17(18)23-31-19-13-16(14-28-24(19)32-23)29-22(34)2-1-7-33-8-10-36-11-9-33/h3-6,12-14H,1-2,7-11H2,(H,29,34)(H,30,35)(H,28,31,32)
InChIKeyPRYKXWJLDCJQJD-UHFFFAOYSA-N
XLogP4.31
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.96
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide (CID 85472053) is N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide is O=C(CCCN1CCOCC1)Nc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The InChIKey is PRYKXWJLDCJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O4/c26-18-4-3-15(30-25(35)20-5-6-21(27)37-20)12-17(18)23-31-19-13-16(14-28-24(19)32-23)29-22(34)2-1-7-33-8-10-36-11-9-33/h3-6,12-14H,1-2,7-11H2,(H,29,34)(H,30,35)(H,28,31,32).
What are the key properties of N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide has a molecular weight of 526.96 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-(4-morpholin-4-ylbutanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide is sourced from PubChem (CID 85472053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).