7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C29H31N3O — CID 58533577

IUPAC7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESC=C(C)c1cccc2c(CCCc3ccc(Nc4ccnc5c4CCC5OC)cc3)c[nH]c12
InChIInChI=1S/C29H31N3O/c1-19(2)23-8-5-9-24-21(18-31-28(23)24)7-4-6-20-10-12-22(13-11-20)32-26-16-17-30-29-25(26)14-15-27(29)33-3/h5,8-13,16-18,27,31H,1,4,6-7,14-15H2,2-3H3,(H,30,32)
InChIKeyHLDKWAOGCNZVNW-UHFFFAOYSA-N
MW437.59 g/mol
LogP7.15
Rot. Bonds8

About 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 58533577) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID58533577
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESC=C(C)c1cccc2c(CCCc3ccc(Nc4ccnc5c4CCC5OC)cc3)c[nH]c12
InChIInChI=1S/C29H31N3O/c1-19(2)23-8-5-9-24-21(18-31-28(23)24)7-4-6-20-10-12-22(13-11-20)32-26-16-17-30-29-25(26)14-15-27(29)33-3/h5,8-13,16-18,27,31H,1,4,6-7,14-15H2,2-3H3,(H,30,32)
InChIKeyHLDKWAOGCNZVNW-UHFFFAOYSA-N
XLogP7.15
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 58533577) is 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is C=C(C)c1cccc2c(CCCc3ccc(Nc4ccnc5c4CCC5OC)cc3)c[nH]c12.
What is the InChIKey of 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is HLDKWAOGCNZVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O/c1-19(2)23-8-5-9-24-21(18-31-28(23)24)7-4-6-20-10-12-22(13-11-20)32-26-16-17-30-29-25(26)14-15-27(29)33-3/h5,8-13,16-18,27,31H,1,4,6-7,14-15H2,2-3H3,(H,30,32).
What are the key properties of 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 437.59 g/mol, XLogP of 7.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-[3-(7-prop-1-en-2-yl-1H-indol-3-yl)propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 58533577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).