N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

C27H28N6O3S — CID 10459209

IUPACN-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
SMILESO=C(CN1CCCC(c2cc(NS(=O)(=O)c3cccnc3)n3ncc(C4CC4)c3n2)C1)c1ccccc1
InChIInChI=1S/C27H28N6O3S/c34-25(20-6-2-1-3-7-20)18-32-13-5-8-21(17-32)24-14-26(31-37(35,36)22-9-4-12-28-15-22)33-27(30-24)23(16-29-33)19-10-11-19/h1-4,6-7,9,12,14-16,19,21,31H,5,8,10-11,13,17-18H2
InChIKeySKRNCFVGPJBXQV-UHFFFAOYSA-N
MW516.63 g/mol
LogP3.86
Rot. Bonds8

About N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (PubChem CID 10459209) has the molecular formula C27H28N6O3S and a molecular weight of 516.63 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
PubChem CID10459209
Molecular FormulaC27H28N6O3S
Molecular Weight516.63 g/mol
Exact Mass516.19
IUPAC NameN-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
SMILESO=C(CN1CCCC(c2cc(NS(=O)(=O)c3cccnc3)n3ncc(C4CC4)c3n2)C1)c1ccccc1
InChIInChI=1S/C27H28N6O3S/c34-25(20-6-2-1-3-7-20)18-32-13-5-8-21(17-32)24-14-26(31-37(35,36)22-9-4-12-28-15-22)33-27(30-24)23(16-29-33)19-10-11-19/h1-4,6-7,9,12,14-16,19,21,31H,5,8,10-11,13,17-18H2
InChIKeySKRNCFVGPJBXQV-UHFFFAOYSA-N
XLogP3.86
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.63
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide
CID 159480710
N-[3-cyclopropyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
CID 71160808
benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 23539627
benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 160504455
N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
CID 58853405
benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 23539625
2-[[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenol
CID 21065621
CID 89230995
CID 89230995
methyl 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]sulfonylbenzoate
CID 21067332
[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 21065902
1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-naphthalen-1-ylethanone
CID 21065337
CID 89298098
CID 89298098

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (CID 10459209) is N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is O=C(CN1CCCC(c2cc(NS(=O)(=O)c3cccnc3)n3ncc(C4CC4)c3n2)C1)c1ccccc1.
What is the InChIKey of N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The InChIKey is SKRNCFVGPJBXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3S/c34-25(20-6-2-1-3-7-20)18-32-13-5-8-21(17-32)24-14-26(31-37(35,36)22-9-4-12-28-15-22)33-27(30-24)23(16-29-33)19-10-11-19/h1-4,6-7,9,12,14-16,19,21,31H,5,8,10-11,13,17-18H2.
What are the key properties of N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide has a molecular weight of 516.63 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10459209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).