5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine

C22H25FN4O — CID 143680513

IUPAC5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine
SMILESCOc1cccc(CNC2C=CC(Cc3c[nH]c4c3=CCCN=4)=CN2C)c1F
InChIInChI=1S/C22H25FN4O/c1-27-14-15(11-17-13-26-22-18(17)6-4-10-24-22)8-9-20(27)25-12-16-5-3-7-19(28-2)21(16)23/h3,5-9,13-14,20,25H,4,10-12H2,1-2H3,(H,24,26)
InChIKeyJMHCHSPWDXOUDR-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.01
Rot. Bonds6

About 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine

5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine (PubChem CID 143680513) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine.

Molecular Properties

Compound Name5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine
PubChem CID143680513
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine
SMILESCOc1cccc(CNC2C=CC(Cc3c[nH]c4c3=CCCN=4)=CN2C)c1F
InChIInChI=1S/C22H25FN4O/c1-27-14-15(11-17-13-26-22-18(17)6-4-10-24-22)8-9-20(27)25-12-16-5-3-7-19(28-2)21(16)23/h3,5-9,13-14,20,25H,4,10-12H2,1-2H3,(H,24,26)
InChIKeyJMHCHSPWDXOUDR-UHFFFAOYSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine with MolForge

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Related Compounds

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CID 3771231
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2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methylpiperazine
CID 10565313
2-(2,6-difluoro-3-nonoxyphenyl)-4,5-dihydro-1H-imidazole
CID 118724685
2-(7aH-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 24871068
N-(3-Methoxybenzyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2123291
N-[(3-Methoxyphenyl)methyl]-4-{2-methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazine-1-carboxamide
CID 53184266
4-{2-Ethyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 53184329
2-[[3-(Difluoromethoxy)phenyl]methyl]-1,3-diethylguanidine
CID 86777215
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CID 125422375
8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7,8-dihydro-2H-purine
CID 66900659
N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine?
The IUPAC name of 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine (CID 143680513) is 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine.
What is the SMILES notation for 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine?
The canonical SMILES for 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine is COc1cccc(CNC2C=CC(Cc3c[nH]c4c3=CCCN=4)=CN2C)c1F.
What is the InChIKey of 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine?
The InChIKey is JMHCHSPWDXOUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-27-14-15(11-17-13-26-22-18(17)6-4-10-24-22)8-9-20(27)25-12-16-5-3-7-19(28-2)21(16)23/h3,5-9,13-14,20,25H,4,10-12H2,1-2H3,(H,24,26).
What are the key properties of 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine?
5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine has a molecular weight of 380.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-1-methyl-2H-pyridin-2-amine is sourced from PubChem (CID 143680513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).