5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide

C32H29F2N5O2 — CID 11534100

IUPAC5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCOCC2)cc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C32H29F2N5O2/c1-38-27(32(40)36-14-15-39-16-18-41-19-17-39)20-26-31(38)29(21-2-6-24(33)7-3-21)28(22-10-12-35-13-11-22)30(37-26)23-4-8-25(34)9-5-23/h2-13,20H,14-19H2,1H3,(H,36,40)
InChIKeyVAIQCJHMYZBBTO-UHFFFAOYSA-N
MW553.61 g/mol
LogP5.31
Rot. Bonds7

About 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide

5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 11534100) has the molecular formula C32H29F2N5O2 and a molecular weight of 553.61 g/mol. Its IUPAC name is 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID11534100
Molecular FormulaC32H29F2N5O2
Molecular Weight553.61 g/mol
Exact Mass553.23
IUPAC Name5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCOCC2)cc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C32H29F2N5O2/c1-38-27(32(40)36-14-15-39-16-18-41-19-17-39)20-26-31(38)29(21-2-6-24(33)7-3-21)28(22-10-12-35-13-11-22)30(37-26)23-4-8-25(34)9-5-23/h2-13,20H,14-19H2,1H3,(H,36,40)
InChIKeyVAIQCJHMYZBBTO-UHFFFAOYSA-N
XLogP5.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 23730143
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1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280199
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrazin-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280236
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 15958787
4-[4-[2,4-Bis(Fluoranyl)phenyl]piperazin-1-Yl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
CID 76936779
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CID 76936801
Nalpha-(2-Fluoro-4-{4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl}benzoyl)-N-Pyridin-4-Yl-D-Tryptophanamide
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1-(4-benzoylpiperazin-1-yl)-2-[7-(2-pyridyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280253
2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 507791
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[(3-oxo-1-piperazinyl)methyl]-
CID 11683012

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide (CID 11534100) is 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide is Cn1c(C(=O)NCCN2CCOCC2)cc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c21.
What is the InChIKey of 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is VAIQCJHMYZBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N5O2/c1-38-27(32(40)36-14-15-39-16-18-41-19-17-39)20-26-31(38)29(21-2-6-24(33)7-3-21)28(22-10-12-35-13-11-22)30(37-26)23-4-8-25(34)9-5-23/h2-13,20H,14-19H2,1H3,(H,36,40).
What are the key properties of 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide?
5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 553.61 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 11534100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).