2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C24H30N6O3S — CID 46912930

IUPAC2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCn1nc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1-c1ccco1
InChIInChI=1S/C24H30N6O3S/c1-29-20(21-3-2-11-33-21)15-19(28-29)16-4-9-30(10-5-16)24-26-18-8-14-34(31)22(18)23(27-24)25-17-6-12-32-13-7-17/h2-3,11,15-17H,4-10,12-14H2,1H3,(H,25,26,27)
InChIKeyMQCCDQHMHVZAHI-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 46912930) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID46912930
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCn1nc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1-c1ccco1
InChIInChI=1S/C24H30N6O3S/c1-29-20(21-3-2-11-33-21)15-19(28-29)16-4-9-30(10-5-16)24-26-18-8-14-34(31)22(18)23(27-24)25-17-6-12-32-13-7-17/h2-3,11,15-17H,4-10,12-14H2,1H3,(H,25,26,27)
InChIKeyMQCCDQHMHVZAHI-UHFFFAOYSA-N
XLogP3.11
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 46912930) is 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-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-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cn1nc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1-c1ccco1.
What is the InChIKey of 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MQCCDQHMHVZAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-29-20(21-3-2-11-33-21)15-19(28-29)16-4-9-30(10-5-16)24-26-18-8-14-34(31)22(18)23(27-24)25-17-6-12-32-13-7-17/h2-3,11,15-17H,4-10,12-14H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 482.61 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 46912930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).