3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one

C26H31N5O2 — CID 155123901

IUPAC3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one
SMILESCC(O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cnc5ccnn5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H31N5O2/c1-16(2)25-21-13-19(18-7-10-30(11-8-18)24(33)12-17(3)32)4-5-22(21)29-26(25)20-14-27-23-6-9-28-31(23)15-20/h4-6,9,13-18,29,32H,7-8,10-12H2,1-3H3
InChIKeyONOIECFDODEPOW-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.48
Rot. Bonds5

About 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one

3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 155123901) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID155123901
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one
SMILESCC(O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cnc5ccnn5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H31N5O2/c1-16(2)25-21-13-19(18-7-10-30(11-8-18)24(33)12-17(3)32)4-5-22(21)29-26(25)20-14-27-23-6-9-28-31(23)15-20/h4-6,9,13-18,29,32H,7-8,10-12H2,1-3H3
InChIKeyONOIECFDODEPOW-UHFFFAOYSA-N
XLogP4.48
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 155123900
1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
CID 142594298
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
2-(dimethylamino)-1-[4-[2-(7-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594466
N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594622
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142593718
2-[ethyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594586
(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
CID 142594662
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
1-[4-[2-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 142593746
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one (CID 155123901) is 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one is CC(O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cnc5ccnn5c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one?
The InChIKey is ONOIECFDODEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-16(2)25-21-13-19(18-7-10-30(11-8-18)24(33)12-17(3)32)4-5-22(21)29-26(25)20-14-27-23-6-9-28-31(23)15-20/h4-6,9,13-18,29,32H,7-8,10-12H2,1-3H3.
What are the key properties of 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one?
3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 445.57 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 155123901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).