N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide

C18H21N7O — CID 172902959

IUPACN-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cnccn3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C18H21N7O/c1-12-10-17(25-16(21-12)9-13(2)23-25)24-7-3-14(4-8-24)22-18(26)15-11-19-5-6-20-15/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,22,26)
InChIKeyAAYZHEMZMGEJFU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.53
Rot. Bonds3

About N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 172902959) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID172902959
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cnccn3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C18H21N7O/c1-12-10-17(25-16(21-12)9-13(2)23-25)24-7-3-14(4-8-24)22-18(26)15-11-19-5-6-20-15/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,22,26)
InChIKeyAAYZHEMZMGEJFU-UHFFFAOYSA-N
XLogP1.53
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172900971
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 51108012
N-(1-quinoxalin-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 172903561
2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892022
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172900415
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172903854
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide (CID 172902959) is N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1cc(N2CCC(NC(=O)c3cnccn3)CC2)n2nc(C)cc2n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is AAYZHEMZMGEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-10-17(25-16(21-12)9-13(2)23-25)24-7-3-14(4-8-24)22-18(26)15-11-19-5-6-20-15/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 172902959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).