3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C28H33N9O — CID 90161075

IUPAC3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C28H33N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31)/t18-,19-/m0/s1
InChIKeyPPMNCASBGOVBMV-OALUTQOASA-N
MW511.63 g/mol
LogP4.50
Rot. Bonds6

About 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 90161075) has the molecular formula C28H33N9O and a molecular weight of 511.63 g/mol. Its IUPAC name is 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID90161075
Molecular FormulaC28H33N9O
Molecular Weight511.63 g/mol
Exact Mass511.28
IUPAC Name3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C28H33N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31)/t18-,19-/m0/s1
InChIKeyPPMNCASBGOVBMV-OALUTQOASA-N
XLogP4.50
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 90161075) is 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccc3)cn12.
What is the InChIKey of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is PPMNCASBGOVBMV-OALUTQOASA-N. The full InChI is InChI=1S/C28H33N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31)/t18-,19-/m0/s1.
What are the key properties of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 511.63 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 90161075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).