N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C14H16FN3 — CID 143385017

IUPACN-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESC/C=C(\C=C(\F)CC)Nc1ccnc2[nH]ccc12
InChIInChI=1S/C14H16FN3/c1-3-10(15)9-11(4-2)18-13-6-8-17-14-12(13)5-7-16-14/h4-9H,3H2,1-2H3,(H2,16,17,18)/b10-9+,11-4+
InChIKeyRBJIZHAAGVFXOM-LFXAUOBFSA-N
MW245.30 g/mol
LogP4.14
Rot. Bonds4

About N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 143385017) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID143385017
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESC/C=C(\C=C(\F)CC)Nc1ccnc2[nH]ccc12
InChIInChI=1S/C14H16FN3/c1-3-10(15)9-11(4-2)18-13-6-8-17-14-12(13)5-7-16-14/h4-9H,3H2,1-2H3,(H2,16,17,18)/b10-9+,11-4+
InChIKeyRBJIZHAAGVFXOM-LFXAUOBFSA-N
XLogP4.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
CID 84655641
4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 22120662
4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
CID 18998617
1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 143384741
4-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 57288382
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 141161029
4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 91193641
ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 176678136
N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide
CID 175807758
1-[(2R,4R,5R)-4-fluoro-2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
CID 170117075
1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride
CID 69263704
4-(1-ethyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 138500278

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 143385017) is N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is C/C=C(\C=C(\F)CC)Nc1ccnc2[nH]ccc12.
What is the InChIKey of N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is RBJIZHAAGVFXOM-LFXAUOBFSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-10(15)9-11(4-2)18-13-6-8-17-14-12(13)5-7-16-14/h4-9H,3H2,1-2H3,(H2,16,17,18)/b10-9+,11-4+.
What are the key properties of N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-5-fluorohepta-2,4-dien-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 143385017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).