1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol

C21H33N5O3S — CID 155399129

IUPAC1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)CC1
InChIInChI=1S/C21H33N5O3S/c1-21(2,27)15-30(28,29)25-12-9-17(10-13-25)23-20-22-14-16-6-5-11-26(19(16)24-20)18-7-3-4-8-18/h5-6,14,17-18,27H,3-4,7-13,15H2,1-2H3,(H,22,23,24)
InChIKeyYPEBVAZOLNSJID-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.23
Rot. Bonds6

About 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol

1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol (PubChem CID 155399129) has the molecular formula C21H33N5O3S and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol
PubChem CID155399129
Molecular FormulaC21H33N5O3S
Molecular Weight435.59 g/mol
Exact Mass435.23
IUPAC Name1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)CC1
InChIInChI=1S/C21H33N5O3S/c1-21(2,27)15-30(28,29)25-12-9-17(10-13-25)23-20-22-14-16-6-5-11-26(19(16)24-20)18-7-3-4-8-18/h5-6,14,17-18,27H,3-4,7-13,15H2,1-2H3,(H,22,23,24)
InChIKeyYPEBVAZOLNSJID-UHFFFAOYSA-N
XLogP2.23
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol with MolForge

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Related Compounds

US10233188, Example 1
CID 134247531
US10233188, Example 22
CID 134253054
8-cyclopentyl-6-ethenyl-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
CID 134247570
US10233188, Example 11
CID 134247634
US10233188, Example 15
CID 134253050
US10233188, Example 16
CID 134253051
US10233188, Example 141
CID 134253112
2-[(1-Methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146950
8-cyclopentyl-6-(2-hydroxyethyl)-2-{[1-(propan-2-ylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
CID 134247535
US10233188, Example 18
CID 134247547
US10233188, Example 12
CID 134247614
US10800783, Example 139
CID 134247683

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol (CID 155399129) is 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol is CC(C)(O)CS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)CC=C3)CC1.
What is the InChIKey of 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol?
The InChIKey is YPEBVAZOLNSJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3S/c1-21(2,27)15-30(28,29)25-12-9-17(10-13-25)23-20-22-14-16-6-5-11-26(19(16)24-20)18-7-3-4-8-18/h5-6,14,17-18,27H,3-4,7-13,15H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol?
1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol has a molecular weight of 435.59 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol is sourced from PubChem (CID 155399129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).