N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide

C22H19N3O — CID 22260995

IUPACN-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESO=C(NCC1CC1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C22H19N3O/c26-22(23-13-14-5-6-14)18-9-10-20-19(12-18)21(25-24-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-4,7-12,14H,5-6,13H2,(H,23,26)(H,24,25)
InChIKeyKMPVBWJGJFMPCR-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.52
Rot. Bonds4

About N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide

N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide (PubChem CID 22260995) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
PubChem CID22260995
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESO=C(NCC1CC1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C22H19N3O/c26-22(23-13-14-5-6-14)18-9-10-20-19(12-18)21(25-24-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-4,7-12,14H,5-6,13H2,(H,23,26)(H,24,25)
InChIKeyKMPVBWJGJFMPCR-UHFFFAOYSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide
CID 68551759
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
3-(6-methoxynaphthalen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indazole-5-carboxamide
CID 25257366
N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 106121573
N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide
CID 25256908
N-(cyclopropylmethyl)-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide
CID 135617793
5-(1-aminoisoquinolin-7-yl)-N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide
CID 171446035
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide
CID 74437257
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide (CID 22260995) is N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide is O=C(NCC1CC1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The InChIKey is KMPVBWJGJFMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c26-22(23-13-14-5-6-14)18-9-10-20-19(12-18)21(25-24-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-4,7-12,14H,5-6,13H2,(H,23,26)(H,24,25).
What are the key properties of N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 22260995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).