tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C35H37N7O5 — CID 67292642

IUPACtert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCN(c2ccc3[nH]c(C(=O)c4ccnc(-c5cncc6ccccc56)c4)nc3n2)C1
InChIInChI=1S/C35H37N7O5/c1-34(2,3)46-32(44)42(33(45)47-35(4,5)6)23-14-16-41(20-23)28-12-11-26-30(39-28)40-31(38-26)29(43)21-13-15-37-27(17-21)25-19-36-18-22-9-7-8-10-24(22)25/h7-13,15,17-19,23H,14,16,20H2,1-6H3,(H,38,39,40)
InChIKeyJZXCLAFBERUYBD-UHFFFAOYSA-N
MW635.73 g/mol
LogP6.55
Rot. Bonds5

About tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 67292642) has the molecular formula C35H37N7O5 and a molecular weight of 635.73 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID67292642
Molecular FormulaC35H37N7O5
Molecular Weight635.73 g/mol
Exact Mass635.29
IUPAC Nametert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCN(c2ccc3[nH]c(C(=O)c4ccnc(-c5cncc6ccccc56)c4)nc3n2)C1
InChIInChI=1S/C35H37N7O5/c1-34(2,3)46-32(44)42(33(45)47-35(4,5)6)23-14-16-41(20-23)28-12-11-26-30(39-28)40-31(38-26)29(43)21-13-15-37-27(17-21)25-19-36-18-22-9-7-8-10-24(22)25/h7-13,15,17-19,23H,14,16,20H2,1-6H3,(H,38,39,40)
InChIKeyJZXCLAFBERUYBD-UHFFFAOYSA-N
XLogP6.55
TPSA143.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 67292642) is tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCN(c2ccc3[nH]c(C(=O)c4ccnc(-c5cncc6ccccc56)c4)nc3n2)C1.
What is the InChIKey of tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is JZXCLAFBERUYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O5/c1-34(2,3)46-32(44)42(33(45)47-35(4,5)6)23-14-16-41(20-23)28-12-11-26-30(39-28)40-31(38-26)29(43)21-13-15-37-27(17-21)25-19-36-18-22-9-7-8-10-24(22)25/h7-13,15,17-19,23H,14,16,20H2,1-6H3,(H,38,39,40).
What are the key properties of tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 635.73 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(2-isoquinolin-4-ylpyridine-4-carbonyl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 67292642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).