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

C14H17BrN4O — CID 146153878

IUPACtrans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1ccncc1Br
InChIInChI=1S/C14H17BrN4O/c15-11-8-16-4-2-12(11)18-13-6-10(7-14(13)20)9-19-5-1-3-17-19/h1-5,8,10,13-14,20H,6-7,9H2,(H,16,18)/t10?,13-,14-/m1/s1
InChIKeyWILDFDQXKQTRLT-WDEVSDKISA-N
MW337.22 g/mol
LogP2.29
Rot. Bonds4

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

trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 146153878) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID146153878
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Nametrans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1ccncc1Br
InChIInChI=1S/C14H17BrN4O/c15-11-8-16-4-2-12(11)18-13-6-10(7-14(13)20)9-19-5-1-3-17-19/h1-5,8,10,13-14,20H,6-7,9H2,(H,16,18)/t10?,13-,14-/m1/s1
InChIKeyWILDFDQXKQTRLT-WDEVSDKISA-N
XLogP2.29
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one
CID 154795309
trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167878720
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
CID 166286085
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol
CID 146113946
trans-(1R,2R)-2-[[3-(hydroxymethyl)-4-pyridinyl]amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167883166
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile
CID 167989621
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
[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 trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 146153878) is trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1ccncc1Br.
What is the InChIKey of trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is WILDFDQXKQTRLT-WDEVSDKISA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-11-8-16-4-2-12(11)18-13-6-10(7-14(13)20)9-19-5-1-3-17-19/h1-5,8,10,13-14,20H,6-7,9H2,(H,16,18)/t10?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 337.22 g/mol, XLogP of 2.29, 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-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 146153878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).