3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide

C35H31N9O2S — CID 161080644

IUPAC3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide
SMILESNc1cc(-c2ccccc2)nc2c(C3CC3)cnn12.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccncc1
InChIInChI=1S/C20H17N5O2S.C15H14N4/c26-28(27,16-8-10-21-11-9-16)24-19-12-18(15-4-2-1-3-5-15)23-20-17(14-6-7-14)13-22-25(19)20;16-14-8-13(11-4-2-1-3-5-11)18-15-12(10-6-7-10)9-17-19(14)15/h1-5,8-14,24H,6-7H2;1-5,8-10H,6-7,16H2
InChIKeyUFWFJCMRLGSZRF-UHFFFAOYSA-N
MW641.76 g/mol
LogP6.33
Rot. Bonds7

About 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide

3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide (PubChem CID 161080644) has the molecular formula C35H31N9O2S and a molecular weight of 641.76 g/mol. Its IUPAC name is 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide
PubChem CID161080644
Molecular FormulaC35H31N9O2S
Molecular Weight641.76 g/mol
Exact Mass641.23
IUPAC Name3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide
SMILESNc1cc(-c2ccccc2)nc2c(C3CC3)cnn12.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccncc1
InChIInChI=1S/C20H17N5O2S.C15H14N4/c26-28(27,16-8-10-21-11-9-16)24-19-12-18(15-4-2-1-3-5-15)23-20-17(14-6-7-14)13-22-25(19)20;16-14-8-13(11-4-2-1-3-5-11)18-15-12(10-6-7-10)9-17-19(14)15/h1-5,8-14,24H,6-7H2;1-5,8-10H,6-7,16H2
InChIKeyUFWFJCMRLGSZRF-UHFFFAOYSA-N
XLogP6.33
TPSA145.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.76
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?
The IUPAC name of 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide (CID 161080644) is 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?
The canonical SMILES for 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide is Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccncc1.
What is the InChIKey of 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?
The InChIKey is UFWFJCMRLGSZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S.C15H14N4/c26-28(27,16-8-10-21-11-9-16)24-19-12-18(15-4-2-1-3-5-15)23-20-17(14-6-7-14)13-22-25(19)20;16-14-8-13(11-4-2-1-3-5-11)18-15-12(10-6-7-10)9-17-19(14)15/h1-5,8-14,24H,6-7H2;1-5,8-10H,6-7,16H2.
What are the key properties of 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?
3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide has a molecular weight of 641.76 g/mol, XLogP of 6.33, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 161080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).