N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide

C19H16N4O — CID 155966917

IUPACN-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
SMILESO=C(CCc1cccc2cnccc12)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H16N4O/c24-19(22-16-6-4-15-12-21-23-18(15)10-16)7-5-13-2-1-3-14-11-20-9-8-17(13)14/h1-4,6,8-12H,5,7H2,(H,21,23)(H,22,24)
InChIKeyBCAZYLMUTQJDPI-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.68
Rot. Bonds4

About N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide

N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide (PubChem CID 155966917) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
PubChem CID155966917
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
SMILESO=C(CCc1cccc2cnccc12)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H16N4O/c24-19(22-16-6-4-15-12-21-23-18(15)10-16)7-5-13-2-1-3-14-11-20-9-8-17(13)14/h1-4,6,8-12H,5,7H2,(H,21,23)(H,22,24)
InChIKeyBCAZYLMUTQJDPI-UHFFFAOYSA-N
XLogP3.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide (CID 155966917) is N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide is O=C(CCc1cccc2cnccc12)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide?
The InChIKey is BCAZYLMUTQJDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(22-16-6-4-15-12-21-23-18(15)10-16)7-5-13-2-1-3-14-11-20-9-8-17(13)14/h1-4,6,8-12H,5,7H2,(H,21,23)(H,22,24).
What are the key properties of N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide?
N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide has a molecular weight of 316.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide is sourced from PubChem (CID 155966917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).