2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide

C19H19IN4O — CID 166999995

IUPAC2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCN(I)C4)cc3)nc12
InChIInChI=1S/C19H19IN4O/c20-23-10-2-4-14(11-23)13-6-8-16(9-7-13)24-12-15-3-1-5-17(19(21)25)18(15)22-24/h1,3,5-9,12,14H,2,4,10-11H2,(H2,21,25)/t14-/m1/s1
InChIKeyOUSONGHZGJNNFG-CQSZACIVSA-N
MW446.29 g/mol
LogP3.65
Rot. Bonds3

About 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide

2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 166999995) has the molecular formula C19H19IN4O and a molecular weight of 446.29 g/mol. Its IUPAC name is 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID166999995
Molecular FormulaC19H19IN4O
Molecular Weight446.29 g/mol
Exact Mass446.06
IUPAC Name2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCN(I)C4)cc3)nc12
InChIInChI=1S/C19H19IN4O/c20-23-10-2-4-14(11-23)13-6-8-16(9-7-13)24-12-15-3-1-5-17(19(21)25)18(15)22-24/h1,3,5-9,12,14H,2,4,10-11H2,(H2,21,25)/t14-/m1/s1
InChIKeyOUSONGHZGJNNFG-CQSZACIVSA-N
XLogP3.65
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclohexylphenyl)indazole-7-carboxamide
CID 129198392
2-aminoacetic acid;(3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylic acid
CID 170171391
tert-butyl (3R)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate
CID 163488328
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[4-(2,2-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588339
2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588459
2-[4-(1-icosa-5,8,11,14,17-pentaenoylpiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 123137800
CID 161313460
CID 161313460
2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588348
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;trifluoromethyl acetate
CID 159354523
2-[4-[(3S)-2,2,4,4,5,5,6,6-octadeuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide (CID 166999995) is 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCN(I)C4)cc3)nc12.
What is the InChIKey of 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is OUSONGHZGJNNFG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19IN4O/c20-23-10-2-4-14(11-23)13-6-8-16(9-7-13)24-12-15-3-1-5-17(19(21)25)18(15)22-24/h1,3,5-9,12,14H,2,4,10-11H2,(H2,21,25)/t14-/m1/s1.
What are the key properties of 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide?
2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 446.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 166999995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).