4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride

C24H26ClN5O — CID 66719109

IUPAC4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)nc1.Cl
InChIInChI=1S/C24H25N5O.ClH/c1-18-4-6-22(25-16-18)19-8-11-28(24(30)15-19)21-5-7-23-20(14-21)17-26-29(23)13-12-27-9-2-3-10-27;/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3;1H
InChIKeySNXBEVBFKKRXGF-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.08
Rot. Bonds5

About 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride

4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (PubChem CID 66719109) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
PubChem CID66719109
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)nc1.Cl
InChIInChI=1S/C24H25N5O.ClH/c1-18-4-6-22(25-16-18)19-8-11-28(24(30)15-19)21-5-7-23-20(14-21)17-26-29(23)13-12-27-9-2-3-10-27;/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3;1H
InChIKeySNXBEVBFKKRXGF-UHFFFAOYSA-N
XLogP4.08
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride (CID 66719109) is 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride is Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)nc1.Cl.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The InChIKey is SNXBEVBFKKRXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.ClH/c1-18-4-6-22(25-16-18)19-8-11-28(24(30)15-19)21-5-7-23-20(14-21)17-26-29(23)13-12-27-9-2-3-10-27;/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3;1H.
What are the key properties of 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 66719109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).