1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

C18H19FN6O — CID 90164354

IUPAC1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cn[nH]c3)cc2n1)N[C@@H]1CC[C@H](CF)C1
InChIInChI=1S/C18H19FN6O/c19-7-11-1-2-14(5-11)23-18(26)25-17-4-3-15-16(24-17)6-12(8-20-15)13-9-21-22-10-13/h3-4,6,8-11,14H,1-2,5,7H2,(H,21,22)(H2,23,24,25,26)/t11-,14+/m0/s1
InChIKeyIFBCVWUUVDEYHJ-SMDDNHRTSA-N
MW354.39 g/mol
LogP3.28
Rot. Bonds4

About 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 90164354) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID90164354
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cn[nH]c3)cc2n1)N[C@@H]1CC[C@H](CF)C1
InChIInChI=1S/C18H19FN6O/c19-7-11-1-2-14(5-11)23-18(26)25-17-4-3-15-16(24-17)6-12(8-20-15)13-9-21-22-10-13/h3-4,6,8-11,14H,1-2,5,7H2,(H,21,22)(H2,23,24,25,26)/t11-,14+/m0/s1
InChIKeyIFBCVWUUVDEYHJ-SMDDNHRTSA-N
XLogP3.28
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 90164354) is 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is O=C(Nc1ccc2ncc(-c3cn[nH]c3)cc2n1)N[C@@H]1CC[C@H](CF)C1.
What is the InChIKey of 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is IFBCVWUUVDEYHJ-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-7-11-1-2-14(5-11)23-18(26)25-17-4-3-15-16(24-17)6-12(8-20-15)13-9-21-22-10-13/h3-4,6,8-11,14H,1-2,5,7H2,(H,21,22)(H2,23,24,25,26)/t11-,14+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 354.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 90164354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).