tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate

C26H32N4O3 — CID 22859554

IUPACtert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate
SMILESCNC(=O)c1cncc(-c2ccc3c(c2)c(C[C@H]2CCCN2C)cn3C(=O)OC(C)(C)C)c1
InChIInChI=1S/C26H32N4O3/c1-26(2,3)33-25(32)30-16-20(12-21-7-6-10-29(21)5)22-13-17(8-9-23(22)30)18-11-19(15-28-14-18)24(31)27-4/h8-9,11,13-16,21H,6-7,10,12H2,1-5H3,(H,27,31)/t21-/m1/s1
InChIKeyWJIZGZMIVXHQQJ-OAQYLSRUSA-N
MW448.57 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate

tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate (PubChem CID 22859554) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate
PubChem CID22859554
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Nametert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate
SMILESCNC(=O)c1cncc(-c2ccc3c(c2)c(C[C@H]2CCCN2C)cn3C(=O)OC(C)(C)C)c1
InChIInChI=1S/C26H32N4O3/c1-26(2,3)33-25(32)30-16-20(12-21-7-6-10-29(21)5)22-13-17(8-9-23(22)30)18-11-19(15-28-14-18)24(31)27-4/h8-9,11,13-16,21H,6-7,10,12H2,1-5H3,(H,27,31)/t21-/m1/s1
InChIKeyWJIZGZMIVXHQQJ-OAQYLSRUSA-N
XLogP4.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-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 6-bromo-3-(cyclobutylmethyl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 155195168
[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-(4-methoxyphenyl)methanone
CID 54178530
N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
1,3-benzodioxol-5-yl-[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]methanone
CID 18694432
tert-butyl 3-[[(3R,9aR)-2-[3,5-bis(trifluoromethyl)benzoyl]-7-pyrazin-2-yl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate
CID 58910087
tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate
CID 138688682
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 7-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]indole-1-carboxylate
CID 176569942
tert-butyl 5-chloro-3-(hydroxymethyl)indole-1-carboxylate
CID 101043387
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-pyridin-4-ylindol-3-yl]propanoic acid
CID 172529576
tert-butyl 3-[[(3R,9aR)-2-[3,5-bis(trifluoromethyl)benzoyl]-7-pyrimidin-5-yl-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate
CID 87579200
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate (CID 22859554) is tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate is CNC(=O)c1cncc(-c2ccc3c(c2)c(C[C@H]2CCCN2C)cn3C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate?
The InChIKey is WJIZGZMIVXHQQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-26(2,3)33-25(32)30-16-20(12-21-7-6-10-29(21)5)22-13-17(8-9-23(22)30)18-11-19(15-28-14-18)24(31)27-4/h8-9,11,13-16,21H,6-7,10,12H2,1-5H3,(H,27,31)/t21-/m1/s1.
What are the key properties of tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate?
tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate has a molecular weight of 448.57 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate is sourced from PubChem (CID 22859554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).