N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide

C18H20N4O2 — CID 146110002

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2cc[nH]c12
InChIInChI=1S/C18H20N4O2/c23-16-10-12(11-22-8-2-6-20-22)9-15(16)21-18(24)14-4-1-3-13-5-7-19-17(13)14/h1-8,12,15-16,19,23H,9-11H2,(H,21,24)/t12?,15-,16-/m1/s1
InChIKeySWTPHCXULYSXTH-XHAYOOOLSA-N
MW324.38 g/mol
LogP1.93
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide (PubChem CID 146110002) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
PubChem CID146110002
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2cc[nH]c12
InChIInChI=1S/C18H20N4O2/c23-16-10-12(11-22-8-2-6-20-22)9-15(16)21-18(24)14-4-1-3-13-5-7-19-17(13)14/h1-8,12,15-16,19,23H,9-11H2,(H,21,24)/t12?,15-,16-/m1/s1
InChIKeySWTPHCXULYSXTH-XHAYOOOLSA-N
XLogP1.93
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]indole-3-carboxamide
CID 134817226
4,6-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 145982741
N-[(3S,4S)-4-hydroxyoxan-3-yl]-1-[(1-methylindazol-5-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 122186858
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrazol-1-ylphenyl)methyl]indole-3-carboxamide
CID 127039038
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
N-[4-(2-methoxyethoxy)cyclohexyl]-5-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide
CID 156339703
2-[1-[[4-(1H-indole-3-carbonylamino)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 76070752
US10294217, Example 19
CID 135312855
US10294217, Example 3
CID 135312990
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 145970322
N-[(1S,2S)-2-hydroxycyclopentyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 145970408
US10294217, Example 1
CID 126674048

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide (CID 146110002) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide is O=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
The InChIKey is SWTPHCXULYSXTH-XHAYOOOLSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-16-10-12(11-22-8-2-6-20-22)9-15(16)21-18(24)14-4-1-3-13-5-7-19-17(13)14/h1-8,12,15-16,19,23H,9-11H2,(H,21,24)/t12?,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 146110002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).