N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H26N6O3 — CID 138646167

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138646167) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 138646167
• Molecular Formula: C25H26N6O3
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.21
• IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cn1ccc(-c2ccn3nc(C(=O)NCC(O)CN4CCc5ccccc5C4)cc3n2)cc1=O
• InChI: InChI=1S/C25H26N6O3/c1-29-9-6-18(12-24(29)33)21-8-11-31-23(27-21)13-22(28-31)25(34)26-14-20(32)16-30-10-7-17-4-2-3-5-19(17)15-30/h2-6,8-9,11-13,20,32H,7,10,14-16H2,1H3,(H,26,34)
• InChIKey: YOTLOVSDBHDMHE-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 104.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 138646167) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1ccc(-c2ccn3nc(C(=O)NCC(O)CN4CCc5ccccc5C4)cc3n2)cc1=O.

What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is YOTLOVSDBHDMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-29-9-6-18(12-24(29)33)21-8-11-31-23(27-21)13-22(28-31)25(34)26-14-20(32)16-30-10-7-17-4-2-3-5-19(17)15-30/h2-6,8-9,11-13,20,32H,7,10,14-16H2,1H3,(H,26,34).

What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(1-methyl-2-oxo-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138646167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).