1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide

C20H20N8O2 — CID 56573678

IUPAC1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccnc2ccnn12)C1CCC(C(=O)Nc2ccnc3ccnn23)CC1
InChIInChI=1S/C20H20N8O2/c29-19(25-17-5-9-21-15-7-11-23-27(15)17)13-1-2-14(4-3-13)20(30)26-18-6-10-22-16-8-12-24-28(16)18/h5-14H,1-4H2,(H,25,29)(H,26,30)
InChIKeyWSRJSHPVVXHGMG-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.16
Rot. Bonds4

About 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 56573678) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
PubChem CID56573678
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccnc2ccnn12)C1CCC(C(=O)Nc2ccnc3ccnn23)CC1
InChIInChI=1S/C20H20N8O2/c29-19(25-17-5-9-21-15-7-11-23-27(15)17)13-1-2-14(4-3-13)20(30)26-18-6-10-22-16-8-12-24-28(16)18/h5-14H,1-4H2,(H,25,29)(H,26,30)
InChIKeyWSRJSHPVVXHGMG-UHFFFAOYSA-N
XLogP2.16
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 56573423
N-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidine-2-carboxamide
CID 119317627
N-pyrazolo[1,5-a]pyrimidin-7-ylmorpholine-3-carboxamide;hydrochloride
CID 119773327
(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 124606712
N-pyrazolo[1,5-a]pyrimidin-7-ylthiophene-3-carboxamide
CID 146121640
4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide
CID 138026685
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)cyclopentanecarboxamide
CID 134798024
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
1-(4-tert-butylphenyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopropane-1-carboxamide
CID 56573417
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
CID 112524854

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide (CID 56573678) is 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide is O=C(Nc1ccnc2ccnn12)C1CCC(C(=O)Nc2ccnc3ccnn23)CC1.
What is the InChIKey of 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WSRJSHPVVXHGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c29-19(25-17-5-9-21-15-7-11-23-27(15)17)13-1-2-14(4-3-13)20(30)26-18-6-10-22-16-8-12-24-28(16)18/h5-14H,1-4H2,(H,25,29)(H,26,30).
What are the key properties of 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 56573678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).