[6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate

C26H32N8O4 — CID 167495321

IUPAC[6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nncn3C3CCOCC3)n1)C2=O
InChIInChI=1S/C26H32N8O4/c1-16(2)32(4)23-12-18-19(21(30-23)14-38-26(36)27-3)13-33(25(18)35)22-7-5-6-20(29-22)24-31-28-15-34(24)17-8-10-37-11-9-17/h5-7,12,15-17H,8-11,13-14H2,1-4H3,(H,27,36)
InChIKeyBNYJKIRXDGCZNY-UHFFFAOYSA-N
MW520.59 g/mol
LogP2.95
Rot. Bonds7

About [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate

[6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (PubChem CID 167495321) has the molecular formula C26H32N8O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
PubChem CID167495321
Molecular FormulaC26H32N8O4
Molecular Weight520.59 g/mol
Exact Mass520.25
IUPAC Name[6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nncn3C3CCOCC3)n1)C2=O
InChIInChI=1S/C26H32N8O4/c1-16(2)32(4)23-12-18-19(21(30-23)14-38-26(36)27-3)13-33(25(18)35)22-7-5-6-20(29-22)24-31-28-15-34(24)17-8-10-37-11-9-17/h5-7,12,15-17H,8-11,13-14H2,1-4H3,(H,27,36)
InChIKeyBNYJKIRXDGCZNY-UHFFFAOYSA-N
XLogP2.95
TPSA127.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
The IUPAC name of [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (CID 167495321) is [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.
What is the SMILES notation for [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
The canonical SMILES for [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is CNC(=O)OCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nncn3C3CCOCC3)n1)C2=O.
What is the InChIKey of [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
The InChIKey is BNYJKIRXDGCZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O4/c1-16(2)32(4)23-12-18-19(21(30-23)14-38-26(36)27-3)13-33(25(18)35)22-7-5-6-20(29-22)24-31-28-15-34(24)17-8-10-37-11-9-17/h5-7,12,15-17H,8-11,13-14H2,1-4H3,(H,27,36).
What are the key properties of [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
[6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate has a molecular weight of 520.59 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(propan-2-yl)amino]-2-[6-[4-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is sourced from PubChem (CID 167495321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).