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

C25H30N8O3 — CID 146593181

IUPAC[6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc(N2[C@H](C)C[C@H]2C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C25H30N8O3/c1-14(2)32-13-27-30-23(32)19-7-6-8-21(28-19)31-11-18-17(24(31)34)10-22(33-15(3)9-16(33)4)29-20(18)12-36-25(35)26-5/h6-8,10,13-16H,9,11-12H2,1-5H3,(H,26,35)/t15-,16-/m1/s1
InChIKeyIPHIETXYSKTFRT-HZPDHXFCSA-N
MW490.57 g/mol
LogP3.32
Rot. Bonds6

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

[6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (PubChem CID 146593181) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
PubChem CID146593181
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC Name[6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc(N2[C@H](C)C[C@H]2C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C25H30N8O3/c1-14(2)32-13-27-30-23(32)19-7-6-8-21(28-19)31-11-18-17(24(31)34)10-22(33-15(3)9-16(33)4)29-20(18)12-36-25(35)26-5/h6-8,10,13-16H,9,11-12H2,1-5H3,(H,26,35)/t15-,16-/m1/s1
InChIKeyIPHIETXYSKTFRT-HZPDHXFCSA-N
XLogP3.32
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146593029
[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
[2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
CID 167495106
[6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
CID 167495261
[2-[6-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
CID 167495145
[6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
CID 167495198
4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611060
4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572154
[2-[6-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
CID 167495276
methyl 4-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 146559663
[2-[6-[(5S)-5-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
CID 167495252
[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]boronic acid
CID 148580494

Frequently Asked Questions

What is the IUPAC name of [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
The IUPAC name of [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (CID 146593181) is [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.
What is the SMILES notation for [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
The canonical SMILES for [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is CNC(=O)OCc1nc(N2[C@H](C)C[C@H]2C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O.
What is the InChIKey of [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
The InChIKey is IPHIETXYSKTFRT-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-14(2)32-13-27-30-23(32)19-7-6-8-21(28-19)31-11-18-17(24(31)34)10-22(33-15(3)9-16(33)4)29-20(18)12-36-25(35)26-5/h6-8,10,13-16H,9,11-12H2,1-5H3,(H,26,35)/t15-,16-/m1/s1.
What are the key properties of [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?
[6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate has a molecular weight of 490.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is sourced from PubChem (CID 146593181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).