N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

C17H23N5O — CID 97454764

IUPACN-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESC[C@@H]1CCCCN1C1CN(C(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C17H23N5O/c1-12-4-2-3-7-22(12)15-10-21(11-15)17(23)19-14-5-6-16-13(8-14)9-18-20-16/h5-6,8-9,12,15H,2-4,7,10-11H2,1H3,(H,18,20)(H,19,23)/t12-/m1/s1
InChIKeyHBQYTEPSUNJUKO-GFCCVEGCSA-N
MW313.40 g/mol
LogP2.65
Rot. Bonds2

About N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (PubChem CID 97454764) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
PubChem CID97454764
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESC[C@@H]1CCCCN1C1CN(C(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C17H23N5O/c1-12-4-2-3-7-22(12)15-10-21(11-15)17(23)19-14-5-6-16-13(8-14)9-18-20-16/h5-6,8-9,12,15H,2-4,7,10-11H2,1H3,(H,18,20)(H,19,23)/t12-/m1/s1
InChIKeyHBQYTEPSUNJUKO-GFCCVEGCSA-N
XLogP2.65
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1H-indazol-5-yl)piperidine-1-carboxamide;hydrochloride
CID 171686977
3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
CID 97434495
N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97435446
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
N-[3-(furan-2-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125176510
4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
CID 72866097
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
CID 117074039
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073818
(2R)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606314
(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606315
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364
N-(2-chloro-6-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97268968

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (CID 97454764) is N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The InChIKey is HBQYTEPSUNJUKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-4-2-3-7-22(12)15-10-21(11-15)17(23)19-14-5-6-16-13(8-14)9-18-20-16/h5-6,8-9,12,15H,2-4,7,10-11H2,1H3,(H,18,20)(H,19,23)/t12-/m1/s1.
What are the key properties of N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 97454764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).