2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one

C17H20N4O3 — CID 167934402

IUPAC2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2oc(CN[C@@H]3CC(Cn4cccn4)C[C@H]3O)cc12
InChIInChI=1S/C17H20N4O3/c22-15-7-11(10-21-5-1-3-20-21)6-14(15)19-9-12-8-13-16(24-12)2-4-18-17(13)23/h1-5,8,11,14-15,19,22H,6-7,9-10H2,(H,18,23)/t11?,14-,15-/m1/s1
InChIKeyPLLWSZRKWDFBEO-PJYWTSEFSA-N
MW328.37 g/mol
LogP1.25
Rot. Bonds5

About 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one

2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one (PubChem CID 167934402) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one
PubChem CID167934402
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2oc(CN[C@@H]3CC(Cn4cccn4)C[C@H]3O)cc12
InChIInChI=1S/C17H20N4O3/c22-15-7-11(10-21-5-1-3-20-21)6-14(15)19-9-12-8-13-16(24-12)2-4-18-17(13)23/h1-5,8,11,14-15,19,22H,6-7,9-10H2,(H,18,23)/t11?,14-,15-/m1/s1
InChIKeyPLLWSZRKWDFBEO-PJYWTSEFSA-N
XLogP1.25
TPSA96.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 146113143
trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153809
trans-(1R,2R)-2-(3,4-dihydro-1H-isochromen-6-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146112411
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
trans-(1R,2R)-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285957
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
CID 146110002
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 167877600
trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285880
4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one
CID 154795309
trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167850465
trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154803195

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one (CID 167934402) is 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one is O=c1[nH]ccc2oc(CN[C@@H]3CC(Cn4cccn4)C[C@H]3O)cc12.
What is the InChIKey of 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one?
The InChIKey is PLLWSZRKWDFBEO-PJYWTSEFSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15-7-11(10-21-5-1-3-20-21)6-14(15)19-9-12-8-13-16(24-12)2-4-18-17(13)23/h1-5,8,11,14-15,19,22H,6-7,9-10H2,(H,18,23)/t11?,14-,15-/m1/s1.
What are the key properties of 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one?
2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one has a molecular weight of 328.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 167934402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).