N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H30N8O2 — CID 66556630

IUPACN-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cc4)n3)CC2)cn1
InChIInChI=1S/C29H30N8O2/c1-20-4-7-23(8-5-20)37-26(33-29(38)24-18-32-36-13-3-12-30-28(24)36)16-25(34-37)22-10-14-35(15-11-22)19-21-6-9-27(39-2)31-17-21/h3-9,12-13,16-18,22H,10-11,14-15,19H2,1-2H3,(H,33,38)
InChIKeyRHBYMVGYFTUBSC-UHFFFAOYSA-N
MW522.61 g/mol
LogP4.26
Rot. Bonds7

About N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556630) has the molecular formula C29H30N8O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556630
Molecular FormulaC29H30N8O2
Molecular Weight522.61 g/mol
Exact Mass522.25
IUPAC NameN-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cc4)n3)CC2)cn1
InChIInChI=1S/C29H30N8O2/c1-20-4-7-23(8-5-20)37-26(33-29(38)24-18-32-36-13-3-12-30-28(24)36)16-25(34-37)22-10-14-35(15-11-22)19-21-6-9-27(39-2)31-17-21/h3-9,12-13,16-18,22H,10-11,14-15,19H2,1-2H3,(H,33,38)
InChIKeyRHBYMVGYFTUBSC-UHFFFAOYSA-N
XLogP4.26
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[4-[[7-(6-Methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57397964
N-{4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenyl}acetamide
CID 91461367
[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 1094062
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168994
5-(4-Methoxyphenyl)-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4917699
3-(dimethylamino)-N-[4-[(E)-[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenyl]propanamide
CID 9604957
6-(4-benzyloxyphenyl)-7-cyclohexyl-N-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15958072
N-[5-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42599880
N-[1-(4-methylphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554581
N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554926
N-[3-(1-carbamoylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555095
N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555955

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556630) is N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CN2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cc4)n3)CC2)cn1.
What is the InChIKey of N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RHBYMVGYFTUBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2/c1-20-4-7-23(8-5-20)37-26(33-29(38)24-18-32-36-13-3-12-30-28(24)36)16-25(34-37)22-10-14-35(15-11-22)19-21-6-9-27(39-2)31-17-21/h3-9,12-13,16-18,22H,10-11,14-15,19H2,1-2H3,(H,33,38).
What are the key properties of N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 522.61 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).