N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H31N7O3 — CID 169120801

IUPACN-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(O)c1nn(C2CCCCC2)cc1NC(=O)c1cnn2ccc(N3CC4CC3CO4)nc12
InChIInChI=1S/C24H31N7O3/c1-24(2,33)21-19(13-31(28-21)15-6-4-3-5-7-15)26-23(32)18-11-25-30-9-8-20(27-22(18)30)29-12-17-10-16(29)14-34-17/h8-9,11,13,15-17,33H,3-7,10,12,14H2,1-2H3,(H,26,32)
InChIKeyAUASGPWWAZKJMF-UHFFFAOYSA-N
MW465.56 g/mol
LogP2.89
Rot. Bonds5

About N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 169120801) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID169120801
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC NameN-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(O)c1nn(C2CCCCC2)cc1NC(=O)c1cnn2ccc(N3CC4CC3CO4)nc12
InChIInChI=1S/C24H31N7O3/c1-24(2,33)21-19(13-31(28-21)15-6-4-3-5-7-15)26-23(32)18-11-25-30-9-8-20(27-22(18)30)29-12-17-10-16(29)14-34-17/h8-9,11,13,15-17,33H,3-7,10,12,14H2,1-2H3,(H,26,32)
InChIKeyAUASGPWWAZKJMF-UHFFFAOYSA-N
XLogP2.89
TPSA109.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 169120801) is N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)c1nn(C2CCCCC2)cc1NC(=O)c1cnn2ccc(N3CC4CC3CO4)nc12.
What is the InChIKey of N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AUASGPWWAZKJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-24(2,33)21-19(13-31(28-21)15-6-4-3-5-7-15)26-23(32)18-11-25-30-9-8-20(27-22(18)30)29-12-17-10-16(29)14-34-17/h8-9,11,13,15-17,33H,3-7,10,12,14H2,1-2H3,(H,26,32).
What are the key properties of N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 169120801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).