3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane

C32H43N5O — CID 145436267

IUPAC3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane
SMILESCCC.CCc1c(C)c2nc(-c3cccnc3C3CCC3)cc(NCc3cccn(C)c3=O)c2n1C(C)C
InChIInChI=1S/C29H35N5O.C3H8/c1-6-25-19(4)26-28(34(25)18(2)3)24(31-17-21-12-9-15-33(5)29(21)35)16-23(32-26)22-13-8-14-30-27(22)20-10-7-11-20;1-3-2/h8-9,12-16,18,20H,6-7,10-11,17H2,1-5H3,(H,31,32);3H2,1-2H3
InChIKeyGJYWBQGIERGKPG-UHFFFAOYSA-N
MW513.73 g/mol
LogP7.54
Rot. Bonds7

About 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane

3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane (PubChem CID 145436267) has the molecular formula C32H43N5O and a molecular weight of 513.73 g/mol. Its IUPAC name is 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane.

Molecular Properties

Compound Name3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane
PubChem CID145436267
Molecular FormulaC32H43N5O
Molecular Weight513.73 g/mol
Exact Mass513.35
IUPAC Name3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane
SMILESCCC.CCc1c(C)c2nc(-c3cccnc3C3CCC3)cc(NCc3cccn(C)c3=O)c2n1C(C)C
InChIInChI=1S/C29H35N5O.C3H8/c1-6-25-19(4)26-28(34(25)18(2)3)24(31-17-21-12-9-15-33(5)29(21)35)16-23(32-26)22-13-8-14-30-27(22)20-10-7-11-20;1-3-2/h8-9,12-16,18,20H,6-7,10-11,17H2,1-5H3,(H,31,32);3H2,1-2H3
InChIKeyGJYWBQGIERGKPG-UHFFFAOYSA-N
XLogP7.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.73
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine
CID 146420669
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692678
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155768026
1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138522157
5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 166789977
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrazin-2-one
CID 82740294
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692753
2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
CID 135147648
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692757
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine
CID 75523968

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane?
The IUPAC name of 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane (CID 145436267) is 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane.
What is the SMILES notation for 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane?
The canonical SMILES for 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane is CCC.CCc1c(C)c2nc(-c3cccnc3C3CCC3)cc(NCc3cccn(C)c3=O)c2n1C(C)C.
What is the InChIKey of 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane?
The InChIKey is GJYWBQGIERGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O.C3H8/c1-6-25-19(4)26-28(34(25)18(2)3)24(31-17-21-12-9-15-33(5)29(21)35)16-23(32-26)22-13-8-14-30-27(22)20-10-7-11-20;1-3-2/h8-9,12-16,18,20H,6-7,10-11,17H2,1-5H3,(H,31,32);3H2,1-2H3.
What are the key properties of 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane?
3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane has a molecular weight of 513.73 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(2-cyclobutyl-3-pyridinyl)-2-ethyl-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-yl]amino]methyl]-1-methylpyridin-2-one;propane is sourced from PubChem (CID 145436267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).