N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine

C18H14BrN3O — CID 141344305

IUPACN-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine
SMILESBrc1ccc(NC2=CCC(=Cc3c[nH]c4ncccc34)O2)cc1
InChIInChI=1S/C18H14BrN3O/c19-13-3-5-14(6-4-13)22-17-8-7-15(23-17)10-12-11-21-18-16(12)2-1-9-20-18/h1-6,8-11,22H,7H2,(H,20,21)
InChIKeySDBMYFSWKTWOIB-UHFFFAOYSA-N
MW368.23 g/mol
LogP5.04
Rot. Bonds3

About N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine

N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine (PubChem CID 141344305) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine
PubChem CID141344305
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC NameN-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine
SMILESBrc1ccc(NC2=CCC(=Cc3c[nH]c4ncccc34)O2)cc1
InChIInChI=1S/C18H14BrN3O/c19-13-3-5-14(6-4-13)22-17-8-7-15(23-17)10-12-11-21-18-16(12)2-1-9-20-18/h1-6,8-11,22H,7H2,(H,20,21)
InChIKeySDBMYFSWKTWOIB-UHFFFAOYSA-N
XLogP5.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.23
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 141200880
(2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one
CID 123382085
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-benzoxazin-3-one
CID 142655644
N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 58087153
N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435165
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 53392945
3-[2-(bromomethyl)-3-methylbut-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 79323810
2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 43339354
3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine
CID 169461874
(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
CID 55273004
(2Z)-5-[(2,6-dimethyl-3-pyridinyl)imino]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one
CID 123525534

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine?
The IUPAC name of N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine (CID 141344305) is N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine?
The canonical SMILES for N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine is Brc1ccc(NC2=CCC(=Cc3c[nH]c4ncccc34)O2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine?
The InChIKey is SDBMYFSWKTWOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-13-3-5-14(6-4-13)22-17-8-7-15(23-17)10-12-11-21-18-16(12)2-1-9-20-18/h1-6,8-11,22H,7H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine?
N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine has a molecular weight of 368.23 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine is sourced from PubChem (CID 141344305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).