N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H27N5O — CID 60506577

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnn2c(-c3ccccc3)ccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C26H27N5O/c1-26(2,30-15-13-19-8-6-7-11-21(19)17-30)18-28-25(32)22-16-29-31-23(12-14-27-24(22)31)20-9-4-3-5-10-20/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,28,32)
InChIKeyMNNPHTDOMTWIEB-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 60506577) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID60506577
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnn2c(-c3ccccc3)ccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C26H27N5O/c1-26(2,30-15-13-19-8-6-7-11-21(19)17-30)18-28-25(32)22-16-29-31-23(12-14-27-24(22)31)20-9-4-3-5-10-20/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,28,32)
InChIKeyMNNPHTDOMTWIEB-UHFFFAOYSA-N
XLogP3.96
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 60506577) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(CNC(=O)c1cnn2c(-c3ccccc3)ccnc12)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MNNPHTDOMTWIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-26(2,30-15-13-19-8-6-7-11-21(19)17-30)18-28-25(32)22-16-29-31-23(12-14-27-24(22)31)20-9-4-3-5-10-20/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60506577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).