N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H30N10O2 — CID 176705636

IUPACN-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(C2CCC2)cc1NC(=O)c1cnn2ccc(C3=CCN(N4CCCN4)C=C3)nc12
InChIInChI=1S/C26H30N10O2/c37-25(31-22-16-35(19-3-1-4-19)32-23(22)26(38)29-18-5-6-18)20-15-28-34-14-9-21(30-24(20)34)17-7-12-33(13-8-17)36-11-2-10-27-36/h7-9,12,14-16,18-19,27H,1-6,10-11,13H2,(H,29,38)(H,31,37)
InChIKeyPFIDBNIQTYRXKY-UHFFFAOYSA-N
MW514.59 g/mol
LogP2.13
Rot. Bonds7

About N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 176705636) has the molecular formula C26H30N10O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID176705636
Molecular FormulaC26H30N10O2
Molecular Weight514.59 g/mol
Exact Mass514.26
IUPAC NameN-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(C2CCC2)cc1NC(=O)c1cnn2ccc(C3=CCN(N4CCCN4)C=C3)nc12
InChIInChI=1S/C26H30N10O2/c37-25(31-22-16-35(19-3-1-4-19)32-23(22)26(38)29-18-5-6-18)20-15-28-34-14-9-21(30-24(20)34)17-7-12-33(13-8-17)36-11-2-10-27-36/h7-9,12,14-16,18-19,27H,1-6,10-11,13H2,(H,29,38)(H,31,37)
InChIKeyPFIDBNIQTYRXKY-UHFFFAOYSA-N
XLogP2.13
TPSA124.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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
N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 176705407
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
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-[[(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-[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
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262608
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523603
N-[3-(difluoromethyl)-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599596
tert-butyl 4-[3-[[3-cyano-1-(4-formylcyclohexyl)pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 172587354
N-[3-(difluoromethyl)-1-(4-hydroxycyclohexyl)pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174097796

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 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) is N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1nn(C2CCC2)cc1NC(=O)c1cnn2ccc(C3=CCN(N4CCCN4)C=C3)nc12.
What is the InChIKey of N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PFIDBNIQTYRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N10O2/c37-25(31-22-16-35(19-3-1-4-19)32-23(22)26(38)29-18-5-6-18)20-15-28-34-14-9-21(30-24(20)34)17-7-12-33(13-8-17)36-11-2-10-27-36/h7-9,12,14-16,18-19,27H,1-6,10-11,13H2,(H,29,38)(H,31,37).
What are the key properties of N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 514.59 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176705636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).