3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one

C27H25N3O2 — CID 169269768

IUPAC3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one
SMILESCc1cc([C@@H](C)Nc2ccc3cc[nH]c3c2C)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C27H25N3O2/c1-15-12-21(18(4)30-23-8-7-19-9-11-29-24(19)16(23)2)27-22(13-15)25(31)17(3)26(32-27)20-6-5-10-28-14-20/h5-14,18,29-30H,1-4H3/t18-/m1/s1
InChIKeyNKSFEBQHBMKMNX-GOSISDBHSA-N
MW423.52 g/mol
LogP6.43
Rot. Bonds4

About 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one

3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one (PubChem CID 169269768) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one.

Molecular Properties

Compound Name3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one
PubChem CID169269768
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one
SMILESCc1cc([C@@H](C)Nc2ccc3cc[nH]c3c2C)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C27H25N3O2/c1-15-12-21(18(4)30-23-8-7-19-9-11-29-24(19)16(23)2)27-22(13-15)25(31)17(3)26(32-27)20-6-5-10-28-14-20/h5-14,18,29-30H,1-4H3/t18-/m1/s1
InChIKeyNKSFEBQHBMKMNX-GOSISDBHSA-N
XLogP6.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one?
The IUPAC name of 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one (CID 169269768) is 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one.
What is the SMILES notation for 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one?
The canonical SMILES for 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one is Cc1cc([C@@H](C)Nc2ccc3cc[nH]c3c2C)c2oc(-c3cccnc3)c(C)c(=O)c2c1.
What is the InChIKey of 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one?
The InChIKey is NKSFEBQHBMKMNX-GOSISDBHSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-15-12-21(18(4)30-23-8-7-19-9-11-29-24(19)16(23)2)27-22(13-15)25(31)17(3)26(32-27)20-6-5-10-28-14-20/h5-14,18,29-30H,1-4H3/t18-/m1/s1.
What are the key properties of 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one?
3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one has a molecular weight of 423.52 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 169269768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).