trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C14H17FN4O — CID 146113015

IUPACtrans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1ncccc1F
InChIInChI=1S/C14H17FN4O/c15-11-3-1-4-16-14(11)18-12-7-10(8-13(12)20)9-19-6-2-5-17-19/h1-6,10,12-13,20H,7-9H2,(H,16,18)/t10?,12-,13-/m1/s1
InChIKeyRKDMKSSGSJXFFI-SKVSWLLESA-N
MW276.31 g/mol
LogP1.67
Rot. Bonds4

About trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 146113015) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID146113015
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Nametrans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1ncccc1F
InChIInChI=1S/C14H17FN4O/c15-11-3-1-4-16-14(11)18-12-7-10(8-13(12)20)9-19-6-2-5-17-19/h1-6,10,12-13,20H,7-9H2,(H,16,18)/t10?,12-,13-/m1/s1
InChIKeyRKDMKSSGSJXFFI-SKVSWLLESA-N
XLogP1.67
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167878720
trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153878
trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153809
2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile
CID 167989621
[(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]cyclopropyl]methanol
CID 126770089
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 146113945
trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154803148
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
trans-(1R,2R)-2-[3-(6-methyl-3-pyridinyl)propylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113142

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 146113015) is trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1ncccc1F.
What is the InChIKey of trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is RKDMKSSGSJXFFI-SKVSWLLESA-N. The full InChI is InChI=1S/C14H17FN4O/c15-11-3-1-4-16-14(11)18-12-7-10(8-13(12)20)9-19-6-2-5-17-19/h1-6,10,12-13,20H,7-9H2,(H,16,18)/t10?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 276.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 146113015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).