2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

C21H19FN4O — CID 157299094

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2
InChIInChI=1S/C21H19FN4O/c1-13-8-15-11-26(12-16(15)10-24-13)21(27)9-20-18(23)6-7-19(25-20)14-2-4-17(22)5-3-14/h2-8,10H,9,11-12,23H2,1H3
InChIKeyBBRKRZNPEPLPRI-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.26
Rot. Bonds3

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (PubChem CID 157299094) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
PubChem CID157299094
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2
InChIInChI=1S/C21H19FN4O/c1-13-8-15-11-26(12-16(15)10-24-13)21(27)9-20-18(23)6-7-19(25-20)14-2-4-17(22)5-3-14/h2-8,10H,9,11-12,23H2,1H3
InChIKeyBBRKRZNPEPLPRI-UHFFFAOYSA-N
XLogP3.26
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3932
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2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
Emraclidine
CID 140830653
(3Z)-1,3-Dihydro-3-((1-methyl-1H-indol-3-yl)methylene)-2H-pyrrolo(3,2-b)pyridin-2-one
CID 9943465
(2S)-2-amino-3-(1H-indol-3-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 10172738
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CID 11683474
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
Pyrrolopyridine, 30
CID 16720208
7-phenyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190891
2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one
CID 73673026

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (CID 157299094) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The InChIKey is BBRKRZNPEPLPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13-8-15-11-26(12-16(15)10-24-13)21(27)9-20-18(23)6-7-19(25-20)14-2-4-17(22)5-3-14/h2-8,10H,9,11-12,23H2,1H3.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone has a molecular weight of 362.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 157299094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).