N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H31N9O — CID 66556800

IUPACN-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C4CCc5ccncc5C4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C30H31N9O/c1-20-3-6-27(33-17-20)39-28(35-30(40)25-19-34-38-12-2-10-32-29(25)38)16-26(36-39)22-8-13-37(14-9-22)24-5-4-21-7-11-31-18-23(21)15-24/h2-3,6-7,10-12,16-19,22,24H,4-5,8-9,13-15H2,1H3,(H,35,40)
InChIKeyVABMHLWBFIXZJO-UHFFFAOYSA-N
MW533.64 g/mol
LogP4.00
Rot. Bonds5

About N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556800) has the molecular formula C30H31N9O and a molecular weight of 533.64 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556800
Molecular FormulaC30H31N9O
Molecular Weight533.64 g/mol
Exact Mass533.27
IUPAC NameN-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C4CCc5ccncc5C4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C30H31N9O/c1-20-3-6-27(33-17-20)39-28(35-30(40)25-19-34-38-12-2-10-32-29(25)38)16-26(36-39)22-8-13-37(14-9-22)24-5-4-21-7-11-31-18-23(21)15-24/h2-3,6-7,10-12,16-19,22,24H,4-5,8-9,13-15H2,1H3,(H,35,40)
InChIKeyVABMHLWBFIXZJO-UHFFFAOYSA-N
XLogP4.00
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556800) is N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(C4CCc5ccncc5C4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VABMHLWBFIXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N9O/c1-20-3-6-27(33-17-20)39-28(35-30(40)25-19-34-38-12-2-10-32-29(25)38)16-26(36-39)22-8-13-37(14-9-22)24-5-4-21-7-11-31-18-23(21)15-24/h2-3,6-7,10-12,16-19,22,24H,4-5,8-9,13-15H2,1H3,(H,35,40).
What are the key properties of N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 533.64 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)-3-[1-(5,6,7,8-tetrahydroisoquinolin-7-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).