N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine

C22H25FN4O — CID 89229930

IUPACN-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESC=C(c1cnc(Nc2cc(F)ccc2OC)c2ccn(C)c12)N1CCCCC1
InChIInChI=1S/C22H25FN4O/c1-15(27-10-5-4-6-11-27)18-14-24-22(17-9-12-26(2)21(17)18)25-19-13-16(23)7-8-20(19)28-3/h7-9,12-14H,1,4-6,10-11H2,2-3H3,(H,24,25)
InChIKeyBCJFLVHAQGDBGR-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.92
Rot. Bonds5

About N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine

N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 89229930) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID89229930
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESC=C(c1cnc(Nc2cc(F)ccc2OC)c2ccn(C)c12)N1CCCCC1
InChIInChI=1S/C22H25FN4O/c1-15(27-10-5-4-6-11-27)18-14-24-22(17-9-12-26(2)21(17)18)25-19-13-16(23)7-8-20(19)28-3/h7-9,12-14H,1,4-6,10-11H2,2-3H3,(H,24,25)
InChIKeyBCJFLVHAQGDBGR-UHFFFAOYSA-N
XLogP4.92
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-fluoro-2-methoxyanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867316
[4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68869763
2-fluoro-5-[[1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
CID 143151631
[4-[5-[difluoro(iodo)methyl]-2-methoxyanilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone
CID 162551168
[4-(3-chloro-4-methoxyanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68867364
[4-(4-chloro-2-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68990550
1-[4-(5-fluoro-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]ethanone
CID 143151562
2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
CID 89229974
[4-(5-methoxy-2-methylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68868590
[4-(3-chloro-2-fluoroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867452
2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 115147812
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine (CID 89229930) is N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine is C=C(c1cnc(Nc2cc(F)ccc2OC)c2ccn(C)c12)N1CCCCC1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is BCJFLVHAQGDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-15(27-10-5-4-6-11-27)18-14-24-22(17-9-12-26(2)21(17)18)25-19-13-16(23)7-8-20(19)28-3/h7-9,12-14H,1,4-6,10-11H2,2-3H3,(H,24,25).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine?
N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 380.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-1-methyl-7-(1-piperidin-1-ylethenyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 89229930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).