1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one

C27H35N7O2 — CID 146276001

IUPAC1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one
SMILESCC1CN(c2cc(=O)n(C)c3ncccc23)CC(CN2CCN(c3ccc4c(n3)CN[C@@H]4C)CC2)O1
InChIInChI=1S/C27H35N7O2/c1-18-15-34(24-13-26(35)31(3)27-22(24)5-4-8-28-27)17-20(36-18)16-32-9-11-33(12-10-32)25-7-6-21-19(2)29-14-23(21)30-25/h4-8,13,18-20,29H,9-12,14-17H2,1-3H3/t18?,19-,20?/m1/s1
InChIKeyJVVWCWQQQGEHIE-IOJLRTSASA-N
MW489.62 g/mol
LogP1.91
Rot. Bonds4

About 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one

1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one (PubChem CID 146276001) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one
PubChem CID146276001
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one
SMILESCC1CN(c2cc(=O)n(C)c3ncccc23)CC(CN2CCN(c3ccc4c(n3)CN[C@@H]4C)CC2)O1
InChIInChI=1S/C27H35N7O2/c1-18-15-34(24-13-26(35)31(3)27-22(24)5-4-8-28-27)17-20(36-18)16-32-9-11-33(12-10-32)25-7-6-21-19(2)29-14-23(21)30-25/h4-8,13,18-20,29H,9-12,14-17H2,1-3H3/t18?,19-,20?/m1/s1
InChIKeyJVVWCWQQQGEHIE-IOJLRTSASA-N
XLogP1.91
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one (CID 146276001) is 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one is CC1CN(c2cc(=O)n(C)c3ncccc23)CC(CN2CCN(c3ccc4c(n3)CN[C@@H]4C)CC2)O1.
What is the InChIKey of 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one?
The InChIKey is JVVWCWQQQGEHIE-IOJLRTSASA-N. The full InChI is InChI=1S/C27H35N7O2/c1-18-15-34(24-13-26(35)31(3)27-22(24)5-4-8-28-27)17-20(36-18)16-32-9-11-33(12-10-32)25-7-6-21-19(2)29-14-23(21)30-25/h4-8,13,18-20,29H,9-12,14-17H2,1-3H3/t18?,19-,20?/m1/s1.
What are the key properties of 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one?
1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one has a molecular weight of 489.62 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-6-[[4-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]piperazin-1-yl]methyl]morpholin-4-yl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 146276001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).