N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C20H23N5O — CID 118382047

IUPACN-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C)N1CC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)C1
InChIInChI=1S/C20H23N5O/c1-13(2)25-11-14(12-25)9-22-20(26)19-17-8-15(5-6-18(17)23-24-19)16-4-3-7-21-10-16/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyJYSDSKZUEBJMBP-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.69
Rot. Bonds5

About N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118382047) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID118382047
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C)N1CC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)C1
InChIInChI=1S/C20H23N5O/c1-13(2)25-11-14(12-25)9-22-20(26)19-17-8-15(5-6-18(17)23-24-19)16-4-3-7-21-10-16/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyJYSDSKZUEBJMBP-UHFFFAOYSA-N
XLogP2.69
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 118382105
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 174835213
N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381227
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
N-[(2R)-2-phenylcyclopropyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118390891
N-(2,3-dihydropyrazin-2-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89451247
N-(6-propan-2-yloxy-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382344
N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381215
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037293

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118382047) is N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is CC(C)N1CC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)C1.
What is the InChIKey of N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is JYSDSKZUEBJMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)25-11-14(12-25)9-22-20(26)19-17-8-15(5-6-18(17)23-24-19)16-4-3-7-21-10-16/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).