(9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C25H28F2N8O2 — CID 167438750

IUPAC(9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CC(C4CC4)NC(=O)[C@@H]3C2)nn1
InChIInChI=1S/C25H28F2N8O2/c1-15-21(35(32-29-15)18-6-4-17(5-7-18)24(26)27)14-37-23-9-8-22(30-31-23)34-11-10-33-12-19(16-2-3-16)28-25(36)20(33)13-34/h4-9,16,19-20,24H,2-3,10-14H2,1H3,(H,28,36)/t19?,20-/m0/s1
InChIKeyPRGDQIDWABTGRF-ANYOKISRSA-N
MW510.55 g/mol
LogP2.28
Rot. Bonds7

About (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

(9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 167438750) has the molecular formula C25H28F2N8O2 and a molecular weight of 510.55 g/mol. Its IUPAC name is (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID167438750
Molecular FormulaC25H28F2N8O2
Molecular Weight510.55 g/mol
Exact Mass510.23
IUPAC Name(9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CC(C4CC4)NC(=O)[C@@H]3C2)nn1
InChIInChI=1S/C25H28F2N8O2/c1-15-21(35(32-29-15)18-6-4-17(5-7-18)24(26)27)14-37-23-9-8-22(30-31-23)34-11-10-33-12-19(16-2-3-16)28-25(36)20(33)13-34/h4-9,16,19-20,24H,2-3,10-14H2,1H3,(H,28,36)/t19?,20-/m0/s1
InChIKeyPRGDQIDWABTGRF-ANYOKISRSA-N
XLogP2.28
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

US11485727, Example 2.11
CID 155770065
US20250136581, Example 174
CID 167438730
US20250136581, Example 46
CID 167438731
US20250136581, Example 201
CID 167438735
US20250136581, Example 141
CID 167438736
US20250136581, Example 39
CID 167438737
US20250136581, Example 38
CID 167438738
US20250136581, Example 49
CID 167438739
US20250136581, Example 132
CID 167438740
US20250136581, Example 139
CID 167438745
US20250136581, Example 59
CID 167438746
US20250136581, Example 138
CID 167438748

Frequently Asked Questions

What is the IUPAC name of (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 167438750) is (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN3CC(C4CC4)NC(=O)[C@@H]3C2)nn1.
What is the InChIKey of (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is PRGDQIDWABTGRF-ANYOKISRSA-N. The full InChI is InChI=1S/C25H28F2N8O2/c1-15-21(35(32-29-15)18-6-4-17(5-7-18)24(26)27)14-37-23-9-8-22(30-31-23)34-11-10-33-12-19(16-2-3-16)28-25(36)20(33)13-34/h4-9,16,19-20,24H,2-3,10-14H2,1H3,(H,28,36)/t19?,20-/m0/s1.
What are the key properties of (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
(9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 510.55 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-7-cyclopropyl-2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 167438750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).