N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H27N9O — CID 90271957

IUPACN-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C4CCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C24H27N9O/c1-17-6-7-20(26-15-17)33-21(28-24(34)19-16-27-32-9-3-8-25-23(19)32)14-22(29-33)31-12-10-30(11-13-31)18-4-2-5-18/h3,6-9,14-16,18H,2,4-5,10-13H2,1H3,(H,28,34)
InChIKeyAITFTCYSYZAHBT-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.55
Rot. Bonds5

About N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90271957) has the molecular formula C24H27N9O and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90271957
Molecular FormulaC24H27N9O
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC NameN-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C4CCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C24H27N9O/c1-17-6-7-20(26-15-17)33-21(28-24(34)19-16-27-32-9-3-8-25-23(19)32)14-22(29-33)31-12-10-30(11-13-31)18-4-2-5-18/h3,6-9,14-16,18H,2,4-5,10-13H2,1H3,(H,28,34)
InChIKeyAITFTCYSYZAHBT-UHFFFAOYSA-N
XLogP2.55
TPSA96.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90271957) is N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(N3CCN(C4CCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AITFTCYSYZAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O/c1-17-6-7-20(26-15-17)33-21(28-24(34)19-16-27-32-9-3-8-25-23(19)32)14-22(29-33)31-12-10-30(11-13-31)18-4-2-5-18/h3,6-9,14-16,18H,2,4-5,10-13H2,1H3,(H,28,34).
What are the key properties of N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90271957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).