1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea

C20H19FN6O — CID 23537369

IUPAC1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C20H19FN6O/c1-12(2)25-20(28)26-17-5-3-13(7-16(17)21)18-10-22-19-6-4-14(11-27(18)19)15-8-23-24-9-15/h3-12H,1-2H3,(H,23,24)(H2,25,26,28)
InChIKeyKWAOMFSRFDBBRI-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.06
Rot. Bonds4

About 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea

1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea (PubChem CID 23537369) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea
PubChem CID23537369
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C20H19FN6O/c1-12(2)25-20(28)26-17-5-3-13(7-16(17)21)18-10-22-19-6-4-14(11-27(18)19)15-8-23-24-9-15/h3-12H,1-2H3,(H,23,24)(H2,25,26,28)
InChIKeyKWAOMFSRFDBBRI-UHFFFAOYSA-N
XLogP4.06
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea (CID 23537369) is 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is KWAOMFSRFDBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12(2)25-20(28)26-17-5-3-13(7-16(17)21)18-10-22-19-6-4-14(11-27(18)19)15-8-23-24-9-15/h3-12H,1-2H3,(H,23,24)(H2,25,26,28).
What are the key properties of 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea?
1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 378.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 23537369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).