7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C26H35N9O3S — CID 70794434

IUPAC7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2
InChIInChI=1S/C26H35N9O3S/c1-15(22-16(2)32-33(4)17(22)3)27-25(36)20-13-34-8-9-35(14-21(34)29-20)26-30-19-7-12-39(37)23(19)24(31-26)28-18-5-10-38-11-6-18/h13,15,18H,5-12,14H2,1-4H3,(H,27,36)(H,28,30,31)
InChIKeyYTLWGVYDXCQJEE-UHFFFAOYSA-N
MW553.69 g/mol
LogP1.79
Rot. Bonds6

About 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70794434) has the molecular formula C26H35N9O3S and a molecular weight of 553.69 g/mol. Its IUPAC name is 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70794434
Molecular FormulaC26H35N9O3S
Molecular Weight553.69 g/mol
Exact Mass553.26
IUPAC Name7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2
InChIInChI=1S/C26H35N9O3S/c1-15(22-16(2)32-33(4)17(22)3)27-25(36)20-13-34-8-9-35(14-21(34)29-20)26-30-19-7-12-39(37)23(19)24(31-26)28-18-5-10-38-11-6-18/h13,15,18H,5-12,14H2,1-4H3,(H,27,36)(H,28,30,31)
InChIKeyYTLWGVYDXCQJEE-UHFFFAOYSA-N
XLogP1.79
TPSA132.09 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 70794434) is 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is Cc1nn(C)c(C)c1C(C)NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.
What is the InChIKey of 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YTLWGVYDXCQJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N9O3S/c1-15(22-16(2)32-33(4)17(22)3)27-25(36)20-13-34-8-9-35(14-21(34)29-20)26-30-19-7-12-39(37)23(19)24(31-26)28-18-5-10-38-11-6-18/h13,15,18H,5-12,14H2,1-4H3,(H,27,36)(H,28,30,31).
What are the key properties of 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 553.69 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70794434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).