2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C23H28N6O2S — CID 147734536

IUPAC2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4ncc5ccccn45)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C23H28N6O2S/c30-32-14-8-19-20(32)21(25-17-6-12-31-13-7-17)27-23(26-19)28-10-4-16(5-11-28)22-24-15-18-3-1-2-9-29(18)22/h1-3,9,15-17H,4-8,10-14H2,(H,25,26,27)
InChIKeyGZCCOPYGJYNMGB-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.76
Rot. Bonds4

About 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 147734536) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID147734536
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4ncc5ccccn45)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C23H28N6O2S/c30-32-14-8-19-20(32)21(25-17-6-12-31-13-7-17)27-23(26-19)28-10-4-16(5-11-28)22-24-15-18-3-1-2-9-29(18)22/h1-3,9,15-17H,4-8,10-14H2,(H,25,26,27)
InChIKeyGZCCOPYGJYNMGB-UHFFFAOYSA-N
XLogP2.76
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

Imidazo[1,2-a]pyridine deriv. 4f
CID 6539035
8-(benzenesulfinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-(oxan-4-yl)purin-2-amine
CID 145968142
8-benzylsulfinyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-(oxan-4-yl)purin-2-amine
CID 145968789
N-[4-(4-methylpiperazin-1-yl)phenyl]-9-(oxan-4-yl)-8-(pyridin-3-ylmethylsulfanyl)purin-2-amine
CID 145969483
3-Cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44539386
8-cyclopentyl-N-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299598
8-cyclopentyl-N-[5-(1,1-dioxothian-4-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299998
2-N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-2,5-diamine
CID 58300151
(2-Methanesulfonyl-ethyl)-{3-[2-(tetrahydro-pyran-4-ylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrazin-8-yl}-amine
CID 66548082
2-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 117666201
US11179397, Example 37
CID 146466955
1-N-[8-(benzenesulfinyl)-9-(oxan-4-yl)purin-2-yl]-4-N-[2-(dimethylamino)ethyl]-4-N-methylbenzene-1,4-diamine
CID 145968425

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 147734536) is 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(c4ncc5ccccn45)CC3)nc(NC3CCOCC3)c21.
What is the InChIKey of 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GZCCOPYGJYNMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c30-32-14-8-19-20(32)21(25-17-6-12-31-13-7-17)27-23(26-19)28-10-4-16(5-11-28)22-24-15-18-3-1-2-9-29(18)22/h1-3,9,15-17H,4-8,10-14H2,(H,25,26,27).
What are the key properties of 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 452.58 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[1,5-a]pyridin-3-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 147734536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).