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N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

C22H18N4O — CID 118381215

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C22H18N4O/c27-21(24-22(10-11-22)17-6-2-1-3-7-17)20-18-13-15(8-9-19(18)25-26-20)16-5-4-12-23-14-16/h1-9,12-14H,10-11H2,(H,24,27)(H,25,26)
InChIKeyOVZFXVFQUYUBJI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.04
Rot. Bonds4

About N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381215) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID118381215
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C22H18N4O/c27-21(24-22(10-11-22)17-6-2-1-3-7-17)20-18-13-15(8-9-19(18)25-26-20)16-5-4-12-23-14-16/h1-9,12-14H,10-11H2,(H,24,27)(H,25,26)
InChIKeyOVZFXVFQUYUBJI-UHFFFAOYSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381215) is N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(NC1(c2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is OVZFXVFQUYUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-21(24-22(10-11-22)17-6-2-1-3-7-17)20-18-13-15(8-9-19(18)25-26-20)16-5-4-12-23-14-16/h1-9,12-14H,10-11H2,(H,24,27)(H,25,26).
What are the key properties of N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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