5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide

C18H25ClN8O2S — CID 126665351

IUPAC5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
SMILESCn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)NC5CC5)CC4C3)n2)cn1
InChIInChI=1S/C18H25ClN8O2S/c1-26-10-15(6-21-26)23-18-20-7-16(19)17(24-18)22-14-4-11-8-27(9-12(11)5-14)30(28,29)25-13-2-3-13/h6-7,10-14,25H,2-5,8-9H2,1H3,(H2,20,22,23,24)
InChIKeyIBBZLXWCFCMCKF-UHFFFAOYSA-N
MW452.97 g/mol
LogP1.73
Rot. Bonds7

About 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide

5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide (PubChem CID 126665351) has the molecular formula C18H25ClN8O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide.

Molecular Properties

Compound Name5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
PubChem CID126665351
Molecular FormulaC18H25ClN8O2S
Molecular Weight452.97 g/mol
Exact Mass452.15
IUPAC Name5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
SMILESCn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)NC5CC5)CC4C3)n2)cn1
InChIInChI=1S/C18H25ClN8O2S/c1-26-10-15(6-21-26)23-18-20-7-16(19)17(24-18)22-14-4-11-8-27(9-12(11)5-14)30(28,29)25-13-2-3-13/h6-7,10-14,25H,2-5,8-9H2,1H3,(H2,20,22,23,24)
InChIKeyIBBZLXWCFCMCKF-UHFFFAOYSA-N
XLogP1.73
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The IUPAC name of 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide (CID 126665351) is 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide.
What is the SMILES notation for 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The canonical SMILES for 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide is Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)NC5CC5)CC4C3)n2)cn1.
What is the InChIKey of 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The InChIKey is IBBZLXWCFCMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN8O2S/c1-26-10-15(6-21-26)23-18-20-7-16(19)17(24-18)22-14-4-11-8-27(9-12(11)5-14)30(28,29)25-13-2-3-13/h6-7,10-14,25H,2-5,8-9H2,1H3,(H2,20,22,23,24).
What are the key properties of 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide has a molecular weight of 452.97 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide is sourced from PubChem (CID 126665351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).