6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H20ClN5O — CID 99795052

IUPAC6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1nc2n(n1)C[C@H](NC(=O)N1CCc3cc(Cl)ccc3C1)CC2
InChIInChI=1S/C17H20ClN5O/c1-11-19-16-5-4-15(10-23(16)21-11)20-17(24)22-7-6-12-8-14(18)3-2-13(12)9-22/h2-3,8,15H,4-7,9-10H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyBZKOORBNDYNDRX-OAHLLOKOSA-N
MW345.83 g/mol
LogP2.32
Rot. Bonds1

About 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 99795052) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID99795052
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1nc2n(n1)C[C@H](NC(=O)N1CCc3cc(Cl)ccc3C1)CC2
InChIInChI=1S/C17H20ClN5O/c1-11-19-16-5-4-15(10-23(16)21-11)20-17(24)22-7-6-12-8-14(18)3-2-13(12)9-22/h2-3,8,15H,4-7,9-10H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyBZKOORBNDYNDRX-OAHLLOKOSA-N
XLogP2.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 99795052) is 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3cc(Cl)ccc3C1)CC2.
What is the InChIKey of 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is BZKOORBNDYNDRX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-11-19-16-5-4-15(10-23(16)21-11)20-17(24)22-7-6-12-8-14(18)3-2-13(12)9-22/h2-3,8,15H,4-7,9-10H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 99795052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).