tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate

C29H38N8O3 — CID 167495239

IUPACtert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate
SMILESCC(C)N(C)c1cc2c(c(CN(C)C(=O)OC(C)(C)C)n1)CN(c1cccc(-c3nncn3C3(C)CC3)n1)C2=O
InChIInChI=1S/C29H38N8O3/c1-18(2)35(8)24-14-19-20(22(32-24)16-34(7)27(39)40-28(3,4)5)15-36(26(19)38)23-11-9-10-21(31-23)25-33-30-17-37(25)29(6)12-13-29/h9-11,14,17-18H,12-13,15-16H2,1-8H3
InChIKeyVBECYTQXLIJCTB-UHFFFAOYSA-N
MW546.68 g/mol
LogP4.62
Rot. Bonds7

About tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate

tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate (PubChem CID 167495239) has the molecular formula C29H38N8O3 and a molecular weight of 546.68 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate
PubChem CID167495239
Molecular FormulaC29H38N8O3
Molecular Weight546.68 g/mol
Exact Mass546.31
IUPAC Nametert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate
SMILESCC(C)N(C)c1cc2c(c(CN(C)C(=O)OC(C)(C)C)n1)CN(c1cccc(-c3nncn3C3(C)CC3)n1)C2=O
InChIInChI=1S/C29H38N8O3/c1-18(2)35(8)24-14-19-20(22(32-24)16-34(7)27(39)40-28(3,4)5)15-36(26(19)38)23-11-9-10-21(31-23)25-33-30-17-37(25)29(6)12-13-29/h9-11,14,17-18H,12-13,15-16H2,1-8H3
InChIKeyVBECYTQXLIJCTB-UHFFFAOYSA-N
XLogP4.62
TPSA109.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.68
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[2-[6-[4-(3,3-difluorocyclobutyl)-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 167495119
tert-butyl N-[[2-[6-[4-(4-fluorophenyl)-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 167495250
tert-butyl N-[[2-[6-(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 167495121
[2-[6-[4-(3,3-difluorocyclobutyl)-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-methylcarbamic acid
CID 175589575
tert-butyl N-methyl-N-[[6-methyl-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146610855
4-[6-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 175589663
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572106
methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
CID 146572034
tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146593146
4-(aminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146610508
tert-butyl N-[[2-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495274
2-[6-[4-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495384

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate (CID 167495239) is tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate is CC(C)N(C)c1cc2c(c(CN(C)C(=O)OC(C)(C)C)n1)CN(c1cccc(-c3nncn3C3(C)CC3)n1)C2=O.
What is the InChIKey of tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate?
The InChIKey is VBECYTQXLIJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O3/c1-18(2)35(8)24-14-19-20(22(32-24)16-34(7)27(39)40-28(3,4)5)15-36(26(19)38)23-11-9-10-21(31-23)25-33-30-17-37(25)29(6)12-13-29/h9-11,14,17-18H,12-13,15-16H2,1-8H3.
What are the key properties of tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate?
tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate has a molecular weight of 546.68 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-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]carbamate is sourced from PubChem (CID 167495239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).