(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone

C22H28N4O — CID 118120155

IUPAC(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(c3cc4ccccc4n3C(C)C)C2)cn1
InChIInChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-11-7-9-18(14-24)21-12-17-8-5-6-10-20(17)26(21)16(2)3/h5-6,8,10,12-13,15-16,18H,4,7,9,11,14H2,1-3H3
InChIKeyBFJXCJBBYLHASN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.46
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone (PubChem CID 118120155) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
PubChem CID118120155
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(c3cc4ccccc4n3C(C)C)C2)cn1
InChIInChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-11-7-9-18(14-24)21-12-17-8-5-6-10-20(17)26(21)16(2)3/h5-6,8,10,12-13,15-16,18H,4,7,9,11,14H2,1-3H3
InChIKeyBFJXCJBBYLHASN-UHFFFAOYSA-N
XLogP4.46
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR-194921
CID 9821511
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
(E)-N-hydroxy-3-[4-[1-[2-(2-pyridin-3-ylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 44234773
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
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N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
(E)-N-hydroxy-3-[4-[1-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290521
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
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CID 6538476
Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-
CID 844673
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone (CID 118120155) is (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCCC(c3cc4ccccc4n3C(C)C)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BFJXCJBBYLHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-11-7-9-18(14-24)21-12-17-8-5-6-10-20(17)26(21)16(2)3/h5-6,8,10,12-13,15-16,18H,4,7,9,11,14H2,1-3H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118120155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).