N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N11O — CID 176705767

IUPACN-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn(C2CCC2)cc1NC(=O)c1cnn2ccc(C3=CN(N4CCCN4)CC=N3)nc12
InChIInChI=1S/C21H25N11O/c22-19-18(13-31(28-19)14-3-1-4-14)27-21(33)15-11-25-30-9-5-16(26-20(15)30)17-12-29(10-7-23-17)32-8-2-6-24-32/h5,7,9,11-14,24H,1-4,6,8,10H2,(H2,22,28)(H,27,33)
InChIKeyIYGMVZOGCIZMKJ-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.30
Rot. Bonds5

About N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 176705767) has the molecular formula C21H25N11O and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID176705767
Molecular FormulaC21H25N11O
Molecular Weight447.51 g/mol
Exact Mass447.22
IUPAC NameN-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn(C2CCC2)cc1NC(=O)c1cnn2ccc(C3=CN(N4CCCN4)CC=N3)nc12
InChIInChI=1S/C21H25N11O/c22-19-18(13-31(28-19)14-3-1-4-14)27-21(33)15-11-25-30-9-5-16(26-20(15)30)17-12-29(10-7-23-17)32-8-2-6-24-32/h5,7,9,11-14,24H,1-4,6,8,10H2,(H2,22,28)(H,27,33)
InChIKeyIYGMVZOGCIZMKJ-UHFFFAOYSA-N
XLogP1.30
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 176705648
N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 176705636
5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine
CID 145153098
5-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158632830
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523603
N-(4-bromothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516671
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
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175626399
N-[3-(difluoromethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-[[(1R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166733514
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262641
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523918
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169120995

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 176705767) is N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn(C2CCC2)cc1NC(=O)c1cnn2ccc(C3=CN(N4CCCN4)CC=N3)nc12.
What is the InChIKey of N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IYGMVZOGCIZMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N11O/c22-19-18(13-31(28-19)14-3-1-4-14)27-21(33)15-11-25-30-9-5-16(26-20(15)30)17-12-29(10-7-23-17)32-8-2-6-24-32/h5,7,9,11-14,24H,1-4,6,8,10H2,(H2,22,28)(H,27,33).
What are the key properties of N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176705767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).