4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane

C29H43FN6O — CID 177041024

IUPAC4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane
SMILESCC.CCC(C)CCN(CC(C)(C)C)c1ccnc2c1CCN2C(=O)Nc1cn2cc(C)nc2cc1F
InChIInChI=1S/C27H37FN6O.C2H6/c1-7-18(2)9-12-32(17-27(4,5)6)23-8-11-29-25-20(23)10-13-34(25)26(35)31-22-16-33-15-19(3)30-24(33)14-21(22)28;1-2/h8,11,14-16,18H,7,9-10,12-13,17H2,1-6H3,(H,31,35);1-2H3
InChIKeyILZAOEPPIMXXTP-UHFFFAOYSA-N
MW510.70 g/mol
LogP7.09
Rot. Bonds7

About 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane

4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane (PubChem CID 177041024) has the molecular formula C29H43FN6O and a molecular weight of 510.70 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane
PubChem CID177041024
Molecular FormulaC29H43FN6O
Molecular Weight510.70 g/mol
Exact Mass510.35
IUPAC Name4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane
SMILESCC.CCC(C)CCN(CC(C)(C)C)c1ccnc2c1CCN2C(=O)Nc1cn2cc(C)nc2cc1F
InChIInChI=1S/C27H37FN6O.C2H6/c1-7-18(2)9-12-32(17-27(4,5)6)23-8-11-29-25-20(23)10-13-34(25)26(35)31-22-16-33-15-19(3)30-24(33)14-21(22)28;1-2/h8,11,14-16,18H,7,9-10,12-13,17H2,1-6H3,(H,31,35);1-2H3
InChIKeyILZAOEPPIMXXTP-UHFFFAOYSA-N
XLogP7.09
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.70
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane?
The IUPAC name of 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane (CID 177041024) is 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane.
What is the SMILES notation for 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane?
The canonical SMILES for 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane is CC.CCC(C)CCN(CC(C)(C)C)c1ccnc2c1CCN2C(=O)Nc1cn2cc(C)nc2cc1F.
What is the InChIKey of 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane?
The InChIKey is ILZAOEPPIMXXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN6O.C2H6/c1-7-18(2)9-12-32(17-27(4,5)6)23-8-11-29-25-20(23)10-13-34(25)26(35)31-22-16-33-15-19(3)30-24(33)14-21(22)28;1-2/h8,11,14-16,18H,7,9-10,12-13,17H2,1-6H3,(H,31,35);1-2H3.
What are the key properties of 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane?
4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane has a molecular weight of 510.70 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(3-methylpentyl)amino]-N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;ethane is sourced from PubChem (CID 177041024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).