1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea

C20H24N6O2 — CID 71249446

IUPAC1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cnn(CCCO)c3)cc2n1)NC1CCCC1
InChIInChI=1S/C20H24N6O2/c27-9-3-8-26-13-15(12-22-26)14-10-18-17(21-11-14)6-7-19(24-18)25-20(28)23-16-4-1-2-5-16/h6-7,10-13,16,27H,1-5,8-9H2,(H2,23,24,25,28)
InChIKeyQYYWZVZLGVBEAI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.94
Rot. Bonds6

About 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea

1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea (PubChem CID 71249446) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
PubChem CID71249446
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cnn(CCCO)c3)cc2n1)NC1CCCC1
InChIInChI=1S/C20H24N6O2/c27-9-3-8-26-13-15(12-22-26)14-10-18-17(21-11-14)6-7-19(24-18)25-20(28)23-16-4-1-2-5-16/h6-7,10-13,16,27H,1-5,8-9H2,(H2,23,24,25,28)
InChIKeyQYYWZVZLGVBEAI-UHFFFAOYSA-N
XLogP2.94
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249335
1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249555
1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
CID 90164320
1-cyclopentyl-3-[7-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164218
1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
CID 136628684
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-2,3-dihydro-1,3,4-thiadiazol-2-amine
CID 90288652
5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288273
1-[7-[2-(azetidin-3-ylmethyl)-3,4-dihydropyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249459
1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea
CID 53236902
1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164354

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea (CID 71249446) is 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea is O=C(Nc1ccc2ncc(-c3cnn(CCCO)c3)cc2n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
The InChIKey is QYYWZVZLGVBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-9-3-8-26-13-15(12-22-26)14-10-18-17(21-11-14)6-7-19(24-18)25-20(28)23-16-4-1-2-5-16/h6-7,10-13,16,27H,1-5,8-9H2,(H2,23,24,25,28).
What are the key properties of 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea has a molecular weight of 380.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 71249446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).