2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C23H25N5O2S — CID 171489054

IUPAC2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1nc(N2CCC(CO)CC2)ccc1-c1nc2c(s1)C(=O)N(c1cccnc1)CC2
InChIInChI=1S/C23H25N5O2S/c1-15-18(4-5-20(25-15)27-10-6-16(14-29)7-11-27)22-26-19-8-12-28(23(30)21(19)31-22)17-3-2-9-24-13-17/h2-5,9,13,16,29H,6-8,10-12,14H2,1H3
InChIKeyXGWWJNSVAZTCPE-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.32
Rot. Bonds4

About 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 171489054) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID171489054
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1nc(N2CCC(CO)CC2)ccc1-c1nc2c(s1)C(=O)N(c1cccnc1)CC2
InChIInChI=1S/C23H25N5O2S/c1-15-18(4-5-20(25-15)27-10-6-16(14-29)7-11-27)22-26-19-8-12-28(23(30)21(19)31-22)17-3-2-9-24-13-17/h2-5,9,13,16,29H,6-8,10-12,14H2,1H3
InChIKeyXGWWJNSVAZTCPE-UHFFFAOYSA-N
XLogP3.32
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 177360567
2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489074
2-[2-fluoro-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
CID 177360550
5-(2-fluoroethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 162180317
5-(6-fluoro-3-pyridinyl)-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489058
2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247348
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride
CID 168879122
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
CID 112625893
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475237
2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475144
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729
5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 167073577

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 171489054) is 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Cc1nc(N2CCC(CO)CC2)ccc1-c1nc2c(s1)C(=O)N(c1cccnc1)CC2.
What is the InChIKey of 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is XGWWJNSVAZTCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-18(4-5-20(25-15)27-10-6-16(14-29)7-11-27)22-26-19-8-12-28(23(30)21(19)31-22)17-3-2-9-24-13-17/h2-5,9,13,16,29H,6-8,10-12,14H2,1H3.
What are the key properties of 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 435.55 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 171489054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).