2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol

C21H23FN4O — CID 143151631

IUPAC2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
SMILESC=C(c1cnc(Nc2ccc(F)c(O)c2)c2ccn(C)c12)N1CCCCC1
InChIInChI=1S/C21H23FN4O/c1-14(26-9-4-3-5-10-26)17-13-23-21(16-8-11-25(2)20(16)17)24-15-6-7-18(22)19(27)12-15/h6-8,11-13,27H,1,3-5,9-10H2,2H3,(H,23,24)
InChIKeyAVRBNTPGMYONJN-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.62
Rot. Bonds4

About 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol

2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol (PubChem CID 143151631) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
PubChem CID143151631
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
SMILESC=C(c1cnc(Nc2ccc(F)c(O)c2)c2ccn(C)c12)N1CCCCC1
InChIInChI=1S/C21H23FN4O/c1-14(26-9-4-3-5-10-26)17-13-23-21(16-8-11-25(2)20(16)17)24-15-6-7-18(22)19(27)12-15/h6-8,11-13,27H,1,3-5,9-10H2,2H3,(H,23,24)
InChIKeyAVRBNTPGMYONJN-UHFFFAOYSA-N
XLogP4.62
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol with MolForge

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Related Compounds

2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
CID 89229974
N-(3-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 143151648
N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 89229930
[4-(4-chloro-2-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68990550
[4-(3-chloro-4-methoxyanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68867364
[4-(3-chloro-4-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 68868926
4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridine-7-carboxylic acid;N-methylcyclohexanamine;hydrochloride
CID 68869752
[4-(3,4-dimethylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68866647
[4-[4-chloro-3-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867250
[4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68869763
[4-[5-[difluoro(iodo)methyl]-2-methoxyanilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone
CID 162551168
[4-[3,5-bis(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 87607051

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The IUPAC name of 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol (CID 143151631) is 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol.
What is the SMILES notation for 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The canonical SMILES for 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol is C=C(c1cnc(Nc2ccc(F)c(O)c2)c2ccn(C)c12)N1CCCCC1.
What is the InChIKey of 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The InChIKey is AVRBNTPGMYONJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14(26-9-4-3-5-10-26)17-13-23-21(16-8-11-25(2)20(16)17)24-15-6-7-18(22)19(27)12-15/h6-8,11-13,27H,1,3-5,9-10H2,2H3,(H,23,24).
What are the key properties of 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol has a molecular weight of 366.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol is sourced from PubChem (CID 143151631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).