N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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

C25H33N9O3S — CID 25265755

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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)cc1C(C)NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2
InChIInChI=1S/C25H33N9O3S/c1-15(18-12-32(3)31-16(18)2)26-24(35)20-13-33-7-8-34(14-21(33)28-20)25-29-19-6-11-38(36)22(19)23(30-25)27-17-4-9-37-10-5-17/h12-13,15,17H,4-11,14H2,1-3H3,(H,26,35)(H,27,29,30)
InChIKeyZHYVIHOMAGIYBB-UHFFFAOYSA-N
MW539.67 g/mol
LogP1.48
Rot. Bonds6

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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-(1,3-dimethylpyrazol-4-yl)ethyl]-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 25265755) has the molecular formula C25H33N9O3S and a molecular weight of 539.67 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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-(1,3-dimethylpyrazol-4-yl)ethyl]-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 CID25265755
Molecular FormulaC25H33N9O3S
Molecular Weight539.67 g/mol
Exact Mass539.24
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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)cc1C(C)NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2
InChIInChI=1S/C25H33N9O3S/c1-15(18-12-32(3)31-16(18)2)26-24(35)20-13-33-7-8-34(14-21(33)28-20)25-29-19-6-11-38(36)22(19)23(30-25)27-17-4-9-37-10-5-17/h12-13,15,17H,4-11,14H2,1-3H3,(H,26,35)(H,27,29,30)
InChIKeyZHYVIHOMAGIYBB-UHFFFAOYSA-N
XLogP1.48
TPSA132.09 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.67
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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-(1,3-dimethylpyrazol-4-yl)ethyl]-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-(1,3-dimethylpyrazol-4-yl)ethyl]-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 25265755) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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-(1,3-dimethylpyrazol-4-yl)ethyl]-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-(1,3-dimethylpyrazol-4-yl)ethyl]-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)cc1C(C)NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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 ZHYVIHOMAGIYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O3S/c1-15(18-12-32(3)31-16(18)2)26-24(35)20-13-33-7-8-34(14-21(33)28-20)25-29-19-6-11-38(36)22(19)23(30-25)27-17-4-9-37-10-5-17/h12-13,15,17H,4-11,14H2,1-3H3,(H,26,35)(H,27,29,30).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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-(1,3-dimethylpyrazol-4-yl)ethyl]-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 539.67 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-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 25265755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).