N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide

C18H29N7O2S — CID 157027060

IUPACN-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide
SMILESCN1CCN(c2cc(NCCS(=O)(=O)NC3CCCC3)n3nccc3n2)CC1
InChIInChI=1S/C18H29N7O2S/c1-23-9-11-24(12-10-23)18-14-17(25-16(21-18)6-7-20-25)19-8-13-28(26,27)22-15-4-2-3-5-15/h6-7,14-15,19,22H,2-5,8-13H2,1H3
InChIKeyMJTRYWVMACELEP-UHFFFAOYSA-N
MW407.54 g/mol
LogP0.75
Rot. Bonds7

About N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide

N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide (PubChem CID 157027060) has the molecular formula C18H29N7O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide
PubChem CID157027060
Molecular FormulaC18H29N7O2S
Molecular Weight407.54 g/mol
Exact Mass407.21
IUPAC NameN-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide
SMILESCN1CCN(c2cc(NCCS(=O)(=O)NC3CCCC3)n3nccc3n2)CC1
InChIInChI=1S/C18H29N7O2S/c1-23-9-11-24(12-10-23)18-14-17(25-16(21-18)6-7-20-25)19-8-13-28(26,27)22-15-4-2-3-5-15/h6-7,14-15,19,22H,2-5,8-13H2,1H3
InChIKeyMJTRYWVMACELEP-UHFFFAOYSA-N
XLogP0.75
TPSA94.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide?
The IUPAC name of N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide (CID 157027060) is N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide is CN1CCN(c2cc(NCCS(=O)(=O)NC3CCCC3)n3nccc3n2)CC1.
What is the InChIKey of N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide?
The InChIKey is MJTRYWVMACELEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O2S/c1-23-9-11-24(12-10-23)18-14-17(25-16(21-18)6-7-20-25)19-8-13-28(26,27)22-15-4-2-3-5-15/h6-7,14-15,19,22H,2-5,8-13H2,1H3.
What are the key properties of N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide?
N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanesulfonamide is sourced from PubChem (CID 157027060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).