(3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C23H25N5O — CID 146134701

IUPAC(3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCn1c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)nnc1-c1ccccc1
InChIInChI=1S/C23H25N5O/c1-27-21(25-26-22(27)16-7-3-2-4-8-16)15-28-14-18-10-6-5-9-17(18)13-20(28)23(29)24-19-11-12-19/h2-10,19-20H,11-15H2,1H3,(H,24,29)/t20-/m1/s1
InChIKeyMCYGDVCFCXFZJV-HXUWFJFHSA-N
MW387.49 g/mol
LogP2.69
Rot. Bonds5

About (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 146134701) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID146134701
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCn1c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)nnc1-c1ccccc1
InChIInChI=1S/C23H25N5O/c1-27-21(25-26-22(27)16-7-3-2-4-8-16)15-28-14-18-10-6-5-9-17(18)13-20(28)23(29)24-19-11-12-19/h2-10,19-20H,11-15H2,1H3,(H,24,29)/t20-/m1/s1
InChIKeyMCYGDVCFCXFZJV-HXUWFJFHSA-N
XLogP2.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-cyclopropyl-2-(1,2-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136584999
2-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875200
2-ethyl-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 50973049
2-[(5-chloro-2-hydroxyphenyl)methyl]-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 45146950
(3R)-N'-acetyl-2-benzyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide
CID 94372692
2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55381616
2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97329723
(3R)-N-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 34202896
2-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 107044914
(3S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95265049
(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7446755
(3S)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895930

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 146134701) is (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is Cn1c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)nnc1-c1ccccc1.
What is the InChIKey of (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is MCYGDVCFCXFZJV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27-21(25-26-22(27)16-7-3-2-4-8-16)15-28-14-18-10-6-5-9-17(18)13-20(28)23(29)24-19-11-12-19/h2-10,19-20H,11-15H2,1H3,(H,24,29)/t20-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 146134701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).