4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide

C23H34N6O4S — CID 134257297

IUPAC4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCC[C@H]1n1c(=O)ccc2cnc(NC3CCN(S(=O)(=O)NC[C@H]4CCCO4)CC3)nc21
InChIInChI=1S/C23H34N6O4S/c1-16-4-2-6-20(16)29-21(30)8-7-17-14-24-23(27-22(17)29)26-18-9-11-28(12-10-18)34(31,32)25-15-19-5-3-13-33-19/h7-8,14,16,18-20,25H,2-6,9-13,15H2,1H3,(H,24,26,27)/t16-,19+,20+/m0/s1
InChIKeyFCXQEMOKPWBCSF-PWIZWCRZSA-N
MW490.63 g/mol
LogP2.04
Rot. Bonds7

About 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide

4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide (PubChem CID 134257297) has the molecular formula C23H34N6O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide
PubChem CID134257297
Molecular FormulaC23H34N6O4S
Molecular Weight490.63 g/mol
Exact Mass490.24
IUPAC Name4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCC[C@H]1n1c(=O)ccc2cnc(NC3CCN(S(=O)(=O)NC[C@H]4CCCO4)CC3)nc21
InChIInChI=1S/C23H34N6O4S/c1-16-4-2-6-20(16)29-21(30)8-7-17-14-24-23(27-22(17)29)26-18-9-11-28(12-10-18)34(31,32)25-15-19-5-3-13-33-19/h7-8,14,16,18-20,25H,2-6,9-13,15H2,1H3,(H,24,26,27)/t16-,19+,20+/m0/s1
InChIKeyFCXQEMOKPWBCSF-PWIZWCRZSA-N
XLogP2.04
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide (CID 134257297) is 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide is C[C@H]1CCC[C@H]1n1c(=O)ccc2cnc(NC3CCN(S(=O)(=O)NC[C@H]4CCCO4)CC3)nc21.
What is the InChIKey of 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is FCXQEMOKPWBCSF-PWIZWCRZSA-N. The full InChI is InChI=1S/C23H34N6O4S/c1-16-4-2-6-20(16)29-21(30)8-7-17-14-24-23(27-22(17)29)26-18-9-11-28(12-10-18)34(31,32)25-15-19-5-3-13-33-19/h7-8,14,16,18-20,25H,2-6,9-13,15H2,1H3,(H,24,26,27)/t16-,19+,20+/m0/s1.
What are the key properties of 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?
4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 490.63 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 134257297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).