5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide

C19H21ClN4O2 — CID 91771159

IUPAC5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H21ClN4O2/c1-10-15-7-13(20)3-4-16(15)22-17(10)19(26)23-18(11-5-14(25)6-11)12-8-21-24(2)9-12/h3-4,7-9,11,14,18,22,25H,5-6H2,1-2H3,(H,23,26)
InChIKeyKXHDBIYPQIRYJQ-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.11
Rot. Bonds4

About 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide

5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide (PubChem CID 91771159) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide
PubChem CID91771159
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H21ClN4O2/c1-10-15-7-13(20)3-4-16(15)22-17(10)19(26)23-18(11-5-14(25)6-11)12-8-21-24(2)9-12/h3-4,7-9,11,14,18,22,25H,5-6H2,1-2H3,(H,23,26)
InChIKeyKXHDBIYPQIRYJQ-UHFFFAOYSA-N
XLogP3.11
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 91766582
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91762120
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide (CID 91771159) is 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide?
The InChIKey is KXHDBIYPQIRYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-10-15-7-13(20)3-4-16(15)22-17(10)19(26)23-18(11-5-14(25)6-11)12-8-21-24(2)9-12/h3-4,7-9,11,14,18,22,25H,5-6H2,1-2H3,(H,23,26).
What are the key properties of 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide?
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 91771159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).