4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide

C19H30N6O3S — CID 95798971

IUPAC4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1nc2cc(C3CCOCC3)nn2c(N2CCN(S(=O)(=O)N(C)C)CC2)c1C
InChIInChI=1S/C19H30N6O3S/c1-14-15(2)20-18-13-17(16-5-11-28-12-6-16)21-25(18)19(14)23-7-9-24(10-8-23)29(26,27)22(3)4/h13,16H,5-12H2,1-4H3
InChIKeyCLOXQBNZSVPBIT-UHFFFAOYSA-N
MW422.56 g/mol
LogP1.17
Rot. Bonds4

About 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 95798971) has the molecular formula C19H30N6O3S and a molecular weight of 422.56 g/mol. Its IUPAC name is 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID95798971
Molecular FormulaC19H30N6O3S
Molecular Weight422.56 g/mol
Exact Mass422.21
IUPAC Name4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1nc2cc(C3CCOCC3)nn2c(N2CCN(S(=O)(=O)N(C)C)CC2)c1C
InChIInChI=1S/C19H30N6O3S/c1-14-15(2)20-18-13-17(16-5-11-28-12-6-16)21-25(18)19(14)23-7-9-24(10-8-23)29(26,27)22(3)4/h13,16H,5-12H2,1-4H3
InChIKeyCLOXQBNZSVPBIT-UHFFFAOYSA-N
XLogP1.17
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 95798971) is 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide is Cc1nc2cc(C3CCOCC3)nn2c(N2CCN(S(=O)(=O)N(C)C)CC2)c1C.
What is the InChIKey of 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is CLOXQBNZSVPBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3S/c1-14-15(2)20-18-13-17(16-5-11-28-12-6-16)21-25(18)19(14)23-7-9-24(10-8-23)29(26,27)22(3)4/h13,16H,5-12H2,1-4H3.
What are the key properties of 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 422.56 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 95798971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).