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

C27H27N5O — CID 25205152

IUPAC4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCn1c(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc2ccccc21
InChIInChI=1S/C27H27N5O/c1-29-24-7-3-2-6-20(24)17-26(29)21-10-13-31(27(33)18-21)23-8-9-25-22(16-23)19-28-32(25)15-14-30-11-4-5-12-30/h2-3,6-10,13,16-19H,4-5,11-12,14-15H2,1H3
InChIKeyGLGQNFSNYLNWLS-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.44
Rot. Bonds5

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

4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25205152) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25205152
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCn1c(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc2ccccc21
InChIInChI=1S/C27H27N5O/c1-29-24-7-3-2-6-20(24)17-26(29)21-10-13-31(27(33)18-21)23-8-9-25-22(16-23)19-28-32(25)15-14-30-11-4-5-12-30/h2-3,6-10,13,16-19H,4-5,11-12,14-15H2,1H3
InChIKeyGLGQNFSNYLNWLS-UHFFFAOYSA-N
XLogP4.44
TPSA47.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25205152) is 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is Cn1c(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc2ccccc21.
What is the InChIKey of 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is GLGQNFSNYLNWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-29-24-7-3-2-6-20(24)17-26(29)21-10-13-31(27(33)18-21)23-8-9-25-22(16-23)19-28-32(25)15-14-30-11-4-5-12-30/h2-3,6-10,13,16-19H,4-5,11-12,14-15H2,1H3.
What are the key properties of 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 437.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25205152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).