6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C22H22N6O — CID 16666436

IUPAC6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2cc(Nc3nccc(-c4c(C)c5n(c4C)CCNC5=O)n3)ccc2[nH]1
InChIInChI=1S/C22H22N6O/c1-12-10-15-11-16(4-5-17(15)25-12)26-22-24-7-6-18(27-22)19-13(2)20-21(29)23-8-9-28(20)14(19)3/h4-7,10-11,25H,8-9H2,1-3H3,(H,23,29)(H,24,26,27)
InChIKeyHXCCVQWXNKCBMS-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.84
Rot. Bonds3

About 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 16666436) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID16666436
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2cc(Nc3nccc(-c4c(C)c5n(c4C)CCNC5=O)n3)ccc2[nH]1
InChIInChI=1S/C22H22N6O/c1-12-10-15-11-16(4-5-17(15)25-12)26-22-24-7-6-18(27-22)19-13(2)20-21(29)23-8-9-28(20)14(19)3/h4-7,10-11,25H,8-9H2,1-3H3,(H,23,29)(H,24,26,27)
InChIKeyHXCCVQWXNKCBMS-UHFFFAOYSA-N
XLogP3.84
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 16666436) is 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc2cc(Nc3nccc(-c4c(C)c5n(c4C)CCNC5=O)n3)ccc2[nH]1.
What is the InChIKey of 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HXCCVQWXNKCBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-12-10-15-11-16(4-5-17(15)25-12)26-22-24-7-6-18(27-22)19-13(2)20-21(29)23-8-9-28(20)14(19)3/h4-7,10-11,25H,8-9H2,1-3H3,(H,23,29)(H,24,26,27).
What are the key properties of 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 386.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-7-[2-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 16666436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).