trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C18H21FN4O — CID 146153809

IUPACtrans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NCc1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H21FN4O/c19-15-3-1-4-16-14(15)9-13(22-16)10-20-17-7-12(8-18(17)24)11-23-6-2-5-21-23/h1-6,9,12,17-18,20,22,24H,7-8,10-11H2/t12?,17-,18-/m1/s1
InChIKeyHPXVZPLDWSRTSA-VIYFESSGSA-N
MW328.39 g/mol
LogP2.43
Rot. Bonds5

About trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 146153809) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID146153809
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Nametrans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NCc1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H21FN4O/c19-15-3-1-4-16-14(15)9-13(22-16)10-20-17-7-12(8-18(17)24)11-23-6-2-5-21-23/h1-6,9,12,17-18,20,22,24H,7-8,10-11H2/t12?,17-,18-/m1/s1
InChIKeyHPXVZPLDWSRTSA-VIYFESSGSA-N
XLogP2.43
TPSA65.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol with MolForge

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Related Compounds

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-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285880
N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine
CID 117173075
2-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-5H-furo[3,2-c]pyridin-4-one
CID 167934402
6-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 146113143
trans-(1R,2R)-2-(3,4-dihydro-1H-isochromen-6-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146112411
trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154803195
trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285873
4-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-1H-1,7-naphthyridin-2-one
CID 154795309
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 167877600
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 146153809) is trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2cccn2)C[C@H]1NCc1cc2c(F)cccc2[nH]1.
What is the InChIKey of trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is HPXVZPLDWSRTSA-VIYFESSGSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-3-1-4-16-14(15)9-13(22-16)10-20-17-7-12(8-18(17)24)11-23-6-2-5-21-23/h1-6,9,12,17-18,20,22,24H,7-8,10-11H2/t12?,17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 328.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 146153809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).