3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one

C25H30N4O2 — CID 123403005

IUPAC3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C25H30N4O2/c30-24(8-5-18-3-1-2-4-18)25-22-14-20(6-7-23(22)27-28-25)21-13-19(15-26-16-21)17-29-9-11-31-12-10-29/h6-7,13-16,18H,1-5,8-12,17H2,(H,27,28)
InChIKeyHMXWIWJFVNPATB-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.61
Rot. Bonds7

About 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one

3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one (PubChem CID 123403005) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one
PubChem CID123403005
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C25H30N4O2/c30-24(8-5-18-3-1-2-4-18)25-22-14-20(6-7-23(22)27-28-25)21-13-19(15-26-16-21)17-29-9-11-31-12-10-29/h6-7,13-16,18H,1-5,8-12,17H2,(H,27,28)
InChIKeyHMXWIWJFVNPATB-UHFFFAOYSA-N
XLogP4.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382016
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-2-piperidin-4-ylpropan-1-one
CID 123889597
N-[1-(2-methylpropyl)piperidin-4-yl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381758
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
CID 123261409
N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381343
2-(1-prop-2-ynylpiperidin-4-yl)-1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethanone
CID 123243314
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458744
N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 123718021
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450813

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one (CID 123403005) is 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one is O=C(CCC1CCCC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one?
The InChIKey is HMXWIWJFVNPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-24(8-5-18-3-1-2-4-18)25-22-14-20(6-7-23(22)27-28-25)21-13-19(15-26-16-21)17-29-9-11-31-12-10-29/h6-7,13-16,18H,1-5,8-12,17H2,(H,27,28).
What are the key properties of 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one?
3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one has a molecular weight of 418.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one is sourced from PubChem (CID 123403005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).