4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one

C17H19N5O2 — CID 154795309

IUPAC4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one
SMILESO=c1cc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c2ccncc2[nH]1
InChIInChI=1S/C17H19N5O2/c23-16-7-11(10-22-5-1-3-19-22)6-14(16)20-13-8-17(24)21-15-9-18-4-2-12(13)15/h1-5,8-9,11,14,16,23H,6-7,10H2,(H2,20,21,24)/t11?,14-,16-/m1/s1
InChIKeyDCQJVSVRPYGTAS-PXFYRTPJSA-N
MW325.37 g/mol
LogP1.37
Rot. Bonds4

About 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one

4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one (PubChem CID 154795309) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one
PubChem CID154795309
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one
SMILESO=c1cc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c2ccncc2[nH]1
InChIInChI=1S/C17H19N5O2/c23-16-7-11(10-22-5-1-3-19-22)6-14(16)20-13-8-17(24)21-15-9-18-4-2-12(13)15/h1-5,8-9,11,14,16,23H,6-7,10H2,(H2,20,21,24)/t11?,14-,16-/m1/s1
InChIKeyDCQJVSVRPYGTAS-PXFYRTPJSA-N
XLogP1.37
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one with MolForge

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Related Compounds

trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153878
6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
CID 166286085
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167878720
trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153809
2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one
CID 167934402
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 166286089
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 167877600
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one?
The IUPAC name of 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one (CID 154795309) is 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one is O=c1cc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c2ccncc2[nH]1.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one?
The InChIKey is DCQJVSVRPYGTAS-PXFYRTPJSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-16-7-11(10-22-5-1-3-19-22)6-14(16)20-13-8-17(24)21-15-9-18-4-2-12(13)15/h1-5,8-9,11,14,16,23H,6-7,10H2,(H2,20,21,24)/t11?,14-,16-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one?
4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 154795309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).