4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C28H29N5O2 — CID 25206789

IUPAC4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCOc1ccc2c(c1)cc(-c1ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c1)n2C
InChIInChI=1S/C28H29N5O2/c1-30-25-8-6-24(35-2)16-21(25)17-27(30)20-9-12-32(28(34)18-20)23-5-7-26-22(15-23)19-29-33(26)14-13-31-10-3-4-11-31/h5-9,12,15-19H,3-4,10-11,13-14H2,1-2H3
InChIKeyNTORQUVKAURTOF-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.45
Rot. Bonds6

About 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25206789) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25206789
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCOc1ccc2c(c1)cc(-c1ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c1)n2C
InChIInChI=1S/C28H29N5O2/c1-30-25-8-6-24(35-2)16-21(25)17-27(30)20-9-12-32(28(34)18-20)23-5-7-26-22(15-23)19-29-33(26)14-13-31-10-3-4-11-31/h5-9,12,15-19H,3-4,10-11,13-14H2,1-2H3
InChIKeyNTORQUVKAURTOF-UHFFFAOYSA-N
XLogP4.45
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25206789) is 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is COc1ccc2c(c1)cc(-c1ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c1)n2C.
What is the InChIKey of 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is NTORQUVKAURTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-30-25-8-6-24(35-2)16-21(25)17-27(30)20-9-12-32(28(34)18-20)23-5-7-26-22(15-23)19-29-33(26)14-13-31-10-3-4-11-31/h5-9,12,15-19H,3-4,10-11,13-14H2,1-2H3.
What are the key properties of 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 467.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25206789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).