5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H17N7O — CID 134386262

IUPAC5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn2ccc(N3CCCCN3)nc12
InChIInChI=1S/C16H17N7O/c24-16(20-13-5-1-2-7-17-13)12-11-19-23-10-6-14(21-15(12)23)22-9-4-3-8-18-22/h1-2,5-7,10-11,18H,3-4,8-9H2,(H,17,20,24)
InChIKeyXZTIVMLYCXRFFX-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.48
Rot. Bonds3

About 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134386262) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134386262
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn2ccc(N3CCCCN3)nc12
InChIInChI=1S/C16H17N7O/c24-16(20-13-5-1-2-7-17-13)12-11-19-23-10-6-14(21-15(12)23)22-9-4-3-8-18-22/h1-2,5-7,10-11,18H,3-4,8-9H2,(H,17,20,24)
InChIKeyXZTIVMLYCXRFFX-UHFFFAOYSA-N
XLogP1.48
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063223
N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526498
N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526412
N-(4-bromothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516671
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155
N-(2-bromophenyl)-5-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516623
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138727003
5-[methyl(pyridin-2-yl)amino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677801
5-(1,4-diazepan-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516630
N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 159646006
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
CID 158973617

Frequently Asked Questions

What is the IUPAC name of 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134386262) is 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccn1)c1cnn2ccc(N3CCCCN3)nc12.
What is the InChIKey of 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XZTIVMLYCXRFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-16(20-13-5-1-2-7-17-13)12-11-19-23-10-6-14(21-15(12)23)22-9-4-3-8-18-22/h1-2,5-7,10-11,18H,3-4,8-9H2,(H,17,20,24).
What are the key properties of 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134386262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).