1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol

C19H28N6O3S — CID 170740332

IUPAC1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
SMILESCc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(N2CCC(O)CC2)n1
InChIInChI=1S/C19H28N6O3S/c1-13-11-14-12-20-19(22-15-3-9-25(10-4-15)29(2,27)28)23-17(14)18(21-13)24-7-5-16(26)6-8-24/h11-12,15-16,26H,3-10H2,1-2H3,(H,20,22,23)
InChIKeyNLXCORGDFYJHLQ-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.13
Rot. Bonds4

About 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol

1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol (PubChem CID 170740332) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
PubChem CID170740332
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC Name1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
SMILESCc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(N2CCC(O)CC2)n1
InChIInChI=1S/C19H28N6O3S/c1-13-11-14-12-20-19(22-15-3-9-25(10-4-15)29(2,27)28)23-17(14)18(21-13)24-7-5-16(26)6-8-24/h11-12,15-16,26H,3-10H2,1-2H3,(H,20,22,23)
InChIKeyNLXCORGDFYJHLQ-UHFFFAOYSA-N
XLogP1.13
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol with MolForge

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Related Compounds

N-(1-cyclopropylsulfonylpiperidin-4-yl)-8-[3-(3-fluoroazetidin-1-yl)azetidin-1-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine
CID 171362269
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
8-(8,8-difluoro-6-azaspiro[3.4]octan-2-yl)-6-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 170686907
2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]quinazolin-8-yl]-2-azaspiro[3.3]heptan-6-ol
CID 170739922
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
8-[(1R,3R)-3-hydroxycyclopentyl]-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253129
cis-(1R,2R)-2-[[6-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]-1-methylcyclopentan-1-ol
CID 169076020
8-[3-(azetidin-1-yl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
CID 170740084
8-(5,5-difluoro-2,8-diazaspiro[3.5]nonan-2-yl)-6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 170686778
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
N-(1-methylsulfonylpiperidin-4-yl)-8-[(1R,5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]quinazolin-2-amine
CID 170739896
N-(1-methylsulfonylpiperidin-4-yl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-2-amine
CID 170740105

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol?
The IUPAC name of 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol (CID 170740332) is 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol is Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol?
The InChIKey is NLXCORGDFYJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-13-11-14-12-20-19(22-15-3-9-25(10-4-15)29(2,27)28)23-17(14)18(21-13)24-7-5-16(26)6-8-24/h11-12,15-16,26H,3-10H2,1-2H3,(H,20,22,23).
What are the key properties of 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol?
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol has a molecular weight of 420.54 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol is sourced from PubChem (CID 170740332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).