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

C24H26N8O3S — CID 90271946

IUPACN-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cn3)n2)CC1
InChIInChI=1S/C24H26N8O3S/c1-36(34,35)30-11-7-17(8-12-30)20-13-22(28-24(33)19-15-27-31-10-2-9-25-23(19)31)32(29-20)21-6-5-18(14-26-21)16-3-4-16/h2,5-6,9-10,13-17H,3-4,7-8,11-12H2,1H3,(H,28,33)
InChIKeyZOYUSAAKEVEVLB-UHFFFAOYSA-N
MW506.59 g/mol
LogP2.58
Rot. Bonds6

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

N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90271946) has the molecular formula C24H26N8O3S and a molecular weight of 506.59 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90271946
Molecular FormulaC24H26N8O3S
Molecular Weight506.59 g/mol
Exact Mass506.18
IUPAC NameN-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cn3)n2)CC1
InChIInChI=1S/C24H26N8O3S/c1-36(34,35)30-11-7-17(8-12-30)20-13-22(28-24(33)19-15-27-31-10-2-9-25-23(19)31)32(29-20)21-6-5-18(14-26-21)16-3-4-16/h2,5-6,9-10,13-17H,3-4,7-8,11-12H2,1H3,(H,28,33)
InChIKeyZOYUSAAKEVEVLB-UHFFFAOYSA-N
XLogP2.58
TPSA127.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90271946) is N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cn3)n2)CC1.
What is the InChIKey of N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZOYUSAAKEVEVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3S/c1-36(34,35)30-11-7-17(8-12-30)20-13-22(28-24(33)19-15-27-31-10-2-9-25-23(19)31)32(29-20)21-6-5-18(14-26-21)16-3-4-16/h2,5-6,9-10,13-17H,3-4,7-8,11-12H2,1H3,(H,28,33).
What are the key properties of N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 506.59 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90271946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).