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

C22H26N10O2 — CID 176705648

IUPACN-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1nn(C2CCC2)cc1NC(=O)c1ccn2ncc(C3=CN(N4CCCN4)CC=N3)c2n1
InChIInChI=1S/C22H26N10O2/c1-34-22-19(14-31(28-22)15-4-2-5-15)27-21(33)17-6-10-30-20(26-17)16(12-25-30)18-13-29(11-8-23-18)32-9-3-7-24-32/h6,8,10,12-15,24H,2-5,7,9,11H2,1H3,(H,27,33)
InChIKeyKGZDSHLTLWIMHH-UHFFFAOYSA-N
MW462.52 g/mol
LogP1.72
Rot. Bonds6

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

N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 176705648) has the molecular formula C22H26N10O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID176705648
Molecular FormulaC22H26N10O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC NameN-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1nn(C2CCC2)cc1NC(=O)c1ccn2ncc(C3=CN(N4CCCN4)CC=N3)c2n1
InChIInChI=1S/C22H26N10O2/c1-34-22-19(14-31(28-22)15-4-2-5-15)27-21(33)17-6-10-30-20(26-17)16(12-25-30)18-13-29(11-8-23-18)32-9-3-7-24-32/h6,8,10,12-15,24H,2-5,7,9,11H2,1H3,(H,27,33)
InChIKeyKGZDSHLTLWIMHH-UHFFFAOYSA-N
XLogP1.72
TPSA117.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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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]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 176705636
N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 176705407
3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628583
N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628849
N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
CID 156823602
3-(3-chlorophenyl)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579
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
3-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628524
3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
CID 162329103
N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 145176661
3-(3-chlorophenyl)-N-[5-(methanesulfonamido)-2-piperazin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628437

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 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) is N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1nn(C2CCC2)cc1NC(=O)c1ccn2ncc(C3=CN(N4CCCN4)CC=N3)c2n1.
What is the InChIKey of N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is KGZDSHLTLWIMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10O2/c1-34-22-19(14-31(28-22)15-4-2-5-15)27-21(33)17-6-10-30-20(26-17)16(12-25-30)18-13-29(11-8-23-18)32-9-3-7-24-32/h6,8,10,12-15,24H,2-5,7,9,11H2,1H3,(H,27,33).
What are the key properties of N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 176705648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).