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

C24H22ClFN6O4 — CID 85472190

IUPACN-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C24H22ClFN6O4/c25-17-2-1-14(29-24(34)19-3-4-20(26)36-19)11-16(17)22-30-18-12-15(13-27-23(18)31-22)28-21(33)5-6-32-7-9-35-10-8-32/h1-4,11-13H,5-10H2,(H,28,33)(H,29,34)(H,27,30,31)
InChIKeyYAXDTYDAXZMMKU-UHFFFAOYSA-N
MW512.93 g/mol
LogP3.92
Rot. Bonds7

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

N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide (PubChem CID 85472190) has the molecular formula C24H22ClFN6O4 and a molecular weight of 512.93 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
PubChem CID85472190
Molecular FormulaC24H22ClFN6O4
Molecular Weight512.93 g/mol
Exact Mass512.14
IUPAC NameN-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C24H22ClFN6O4/c25-17-2-1-14(29-24(34)19-3-4-20(26)36-19)11-16(17)22-30-18-12-15(13-27-23(18)31-22)28-21(33)5-6-32-7-9-35-10-8-32/h1-4,11-13H,5-10H2,(H,28,33)(H,29,34)(H,27,30,31)
InChIKeyYAXDTYDAXZMMKU-UHFFFAOYSA-N
XLogP3.92
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.93
LogP ≤ 53.92
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-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide (CID 85472190) is N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide is O=C(CCN1CCOCC1)Nc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
The InChIKey is YAXDTYDAXZMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O4/c25-17-2-1-14(29-24(34)19-3-4-20(26)36-19)11-16(17)22-30-18-12-15(13-27-23(18)31-22)28-21(33)5-6-32-7-9-35-10-8-32/h1-4,11-13H,5-10H2,(H,28,33)(H,29,34)(H,27,30,31).
What are the key properties of N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide?
N-[4-chloro-3-[6-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide has a molecular weight of 512.93 g/mol, XLogP of 3.92, 7 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-(3-morpholin-4-ylpropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-5-fluorofuran-2-carboxamide is sourced from PubChem (CID 85472190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).