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

C24H31N9O3S — CID 25263660

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2
InChIInChI=1S/C24H31N9O3S/c1-15-16(12-31(2)30-15)11-25-23(34)19-13-32-6-7-33(14-20(32)27-19)24-28-18-5-10-37(35)21(18)22(29-24)26-17-3-8-36-9-4-17/h12-13,17H,3-11,14H2,1-2H3,(H,25,34)(H,26,28,29)
InChIKeyZKDOGGQUNXEKSQ-UHFFFAOYSA-N
MW525.64 g/mol
LogP0.92
Rot. Bonds6

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 25263660) has the molecular formula C24H31N9O3S and a molecular weight of 525.64 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID25263660
Molecular FormulaC24H31N9O3S
Molecular Weight525.64 g/mol
Exact Mass525.23
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2
InChIInChI=1S/C24H31N9O3S/c1-15-16(12-31(2)30-15)11-25-23(34)19-13-32-6-7-33(14-20(32)27-19)24-28-18-5-10-37(35)21(18)22(29-24)26-17-3-8-36-9-4-17/h12-13,17H,3-11,14H2,1-2H3,(H,25,34)(H,26,28,29)
InChIKeyZKDOGGQUNXEKSQ-UHFFFAOYSA-N
XLogP0.92
TPSA132.09 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.64
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-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 N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 25263660) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ZKDOGGQUNXEKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O3S/c1-15-16(12-31(2)30-15)11-25-23(34)19-13-32-6-7-33(14-20(32)27-19)24-28-18-5-10-37(35)21(18)22(29-24)26-17-3-8-36-9-4-17/h12-13,17H,3-11,14H2,1-2H3,(H,25,34)(H,26,28,29).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 525.64 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 25263660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).