6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C16H19N3O — CID 143396225

IUPAC6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCO/C=C\Cc1ccc2c(C3=CCNCC3)c[nH]c2n1
InChIInChI=1S/C16H19N3O/c1-20-10-2-3-13-4-5-14-15(11-18-16(14)19-13)12-6-8-17-9-7-12/h2,4-6,10-11,17H,3,7-9H2,1H3,(H,18,19)/b10-2-
InChIKeyVPBZMBHDKGCZIK-SGAXSIHGSA-N
MW269.35 g/mol
LogP2.64
Rot. Bonds4

About 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143396225) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID143396225
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCO/C=C\Cc1ccc2c(C3=CCNCC3)c[nH]c2n1
InChIInChI=1S/C16H19N3O/c1-20-10-2-3-13-4-5-14-15(11-18-16(14)19-13)12-6-8-17-9-7-12/h2,4-6,10-11,17H,3,7-9H2,1H3,(H,18,19)/b10-2-
InChIKeyVPBZMBHDKGCZIK-SGAXSIHGSA-N
XLogP2.64
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
9H-Pyrido(2,3-b)indole
CID 67486
1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile
CID 89915073
SR7826
CID 45381385
3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 60155996
4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319
6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
(2R)-1-((5,6-diphenyl-7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)propan-2-ol
CID 4369434

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 143396225) is 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CO/C=C\Cc1ccc2c(C3=CCNCC3)c[nH]c2n1.
What is the InChIKey of 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VPBZMBHDKGCZIK-SGAXSIHGSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-10-2-3-13-4-5-14-15(11-18-16(14)19-13)12-6-8-17-9-7-12/h2,4-6,10-11,17H,3,7-9H2,1H3,(H,18,19)/b10-2-.
What are the key properties of 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 269.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-3-methoxyprop-2-enyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143396225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).