7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C31H36N4O2 — CID 137355616

IUPAC7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCN(CCC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(NC)c1
InChIInChI=1S/C31H36N4O2/c1-6-18-34(19-7-2)22-15-16-25(26(20-22)32-5)31(29-24(30(36)37-31)13-11-17-33-29)28-21(4)35(8-3)27-14-10-9-12-23(27)28/h9-17,20,32H,6-8,18-19H2,1-5H3
InChIKeyKMFCUBIHVVQIGQ-UHFFFAOYSA-N
MW496.66 g/mol
LogP6.50
Rot. Bonds9

About 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 137355616) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID137355616
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC Name7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCCN(CCC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(NC)c1
InChIInChI=1S/C31H36N4O2/c1-6-18-34(19-7-2)22-15-16-25(26(20-22)32-5)31(29-24(30(36)37-31)13-11-17-33-29)28-21(4)35(8-3)27-14-10-9-12-23(27)28/h9-17,20,32H,6-8,18-19H2,1-5H3
InChIKeyKMFCUBIHVVQIGQ-UHFFFAOYSA-N
XLogP6.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(dipentylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283883
7-[4-[bis(prop-2-enyl)amino]-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283953
7-[4-(dimethoxyamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283907
7-[4-(diethylamino)-2-(3-methylbutoxy)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 14177718
7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-methyl-4-(methylamino)indol-3-yl]furo[3,4-b]pyridin-5-one
CID 22283948
7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 14177723
7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 18998069
7-(1-ethyl-2-methylindol-3-yl)-7-(1-hexyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885872
7-[4-(diethylamino)-3-methylphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283918
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283915
7-[2-ethoxy-4-(3-ethylhexan-3-yloxyamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283980
7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 59881545

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 137355616) is 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCCN(CCC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(NC)c1.
What is the InChIKey of 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is KMFCUBIHVVQIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-6-18-34(19-7-2)22-15-16-25(26(20-22)32-5)31(29-24(30(36)37-31)13-11-17-33-29)28-21(4)35(8-3)27-14-10-9-12-23(27)28/h9-17,20,32H,6-8,18-19H2,1-5H3.
What are the key properties of 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 496.66 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dipropylamino)-2-(methylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 137355616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).