tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate

C27H30N4O5 — CID 90134026

IUPACtert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
SMILESCN(C(=O)OCc1ccccc1)c1cc(-c2cc3c(n2C)CCN(C(=O)OC(C)(C)C)C3=O)ccn1
InChIInChI=1S/C27H30N4O5/c1-27(2,3)36-26(34)31-14-12-21-20(24(31)32)16-22(29(21)4)19-11-13-28-23(15-19)30(5)25(33)35-17-18-9-7-6-8-10-18/h6-11,13,15-16H,12,14,17H2,1-5H3
InChIKeyPSSGPGQDOBRSEO-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate

tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate (PubChem CID 90134026) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
PubChem CID90134026
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Nametert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
SMILESCN(C(=O)OCc1ccccc1)c1cc(-c2cc3c(n2C)CCN(C(=O)OC(C)(C)C)C3=O)ccn1
InChIInChI=1S/C27H30N4O5/c1-27(2,3)36-26(34)31-14-12-21-20(24(31)32)16-22(29(21)4)19-11-13-28-23(15-19)30(5)25(33)35-17-18-9-7-6-8-10-18/h6-11,13,15-16H,12,14,17H2,1-5H3
InChIKeyPSSGPGQDOBRSEO-UHFFFAOYSA-N
XLogP4.79
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(2-aminopyrimidin-4-yl)-1-benzyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 24776921
tert-butyl 2-[2-amino-5-[2-[3-(3-phenylpropanoylamino)phenyl]ethynyl]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 118451902
methyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-4-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 171798912
tert-butyl 2-[2-amino-5-[2-[3-(2-anilino-2-oxoethoxy)phenyl]ethynyl]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 118452002
tert-butyl 2-[2-amino-5-[2-(3-aminophenyl)ethynyl]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-amino-5-iodopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 158640367
tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate
CID 101235473
tert-butyl (3R,4R)-3-hydroxy-4-[methyl(phenylmethoxycarbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 178194691
benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine
CID 158301268
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
tert-butyl 2-[2-amino-5-[2-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]ethynyl]-4-pyridinyl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
CID 118452051
4-O-benzyl 1-O-tert-butyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 10566356
tert-butyl 5-(4-phenylmethoxyphenyl)-2,3-dihydroindole-1-carboxylate
CID 58020909

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate (CID 90134026) is tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate is CN(C(=O)OCc1ccccc1)c1cc(-c2cc3c(n2C)CCN(C(=O)OC(C)(C)C)C3=O)ccn1.
What is the InChIKey of tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
The InChIKey is PSSGPGQDOBRSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-27(2,3)36-26(34)31-14-12-21-20(24(31)32)16-22(29(21)4)19-11-13-28-23(15-19)30(5)25(33)35-17-18-9-7-6-8-10-18/h6-11,13,15-16H,12,14,17H2,1-5H3.
What are the key properties of tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-pyridinyl]-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 90134026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).