4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide

C17H20N6O3S — CID 24830769

IUPAC4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(O)(C4C=CC=CN4)CC3)nc12
InChIInChI=1S/C17H20N6O3S/c1-26-13-12-14(20-10-19-13)27-15(21-12)22-16(24)23-8-5-17(25,6-9-23)11-4-2-3-7-18-11/h2-4,7,10-11,18,25H,5-6,8-9H2,1H3,(H,21,22,24)
InChIKeyRNASYTCDHSVCDB-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.50
Rot. Bonds3

About 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide

4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (PubChem CID 24830769) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
PubChem CID24830769
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(O)(C4C=CC=CN4)CC3)nc12
InChIInChI=1S/C17H20N6O3S/c1-26-13-12-14(20-10-19-13)27-15(21-12)22-16(24)23-8-5-17(25,6-9-23)11-4-2-3-7-18-11/h2-4,7,10-11,18,25H,5-6,8-9H2,1H3,(H,21,22,24)
InChIKeyRNASYTCDHSVCDB-UHFFFAOYSA-N
XLogP1.50
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (CID 24830769) is 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(O)(C4C=CC=CN4)CC3)nc12.
What is the InChIKey of 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The InChIKey is RNASYTCDHSVCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-26-13-12-14(20-10-19-13)27-15(21-12)22-16(24)23-8-5-17(25,6-9-23)11-4-2-3-7-18-11/h2-4,7,10-11,18,25H,5-6,8-9H2,1H3,(H,21,22,24).
What are the key properties of 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-2-yl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 24830769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).