[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone

C22H27N5O — CID 92552418

IUPAC[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)n[nH]1
InChIInChI=1S/C22H27N5O/c1-22(2,3)19-13-18(25-26-19)21(28)27-10-8-14(9-11-27)20-16(23)12-15-6-4-5-7-17(15)24-20/h4-7,12-14H,8-11,23H2,1-3H3,(H,25,26)
InChIKeyBXKMJTYSCWPELD-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.86
Rot. Bonds2

About [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone

[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone (PubChem CID 92552418) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
PubChem CID92552418
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)n[nH]1
InChIInChI=1S/C22H27N5O/c1-22(2,3)19-13-18(25-26-19)21(28)27-10-8-14(9-11-27)20-16(23)12-15-6-4-5-7-17(15)24-20/h4-7,12-14H,8-11,23H2,1-3H3,(H,25,26)
InChIKeyBXKMJTYSCWPELD-UHFFFAOYSA-N
XLogP3.86
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone with MolForge

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Related Compounds

US10022354, Example 5
CID 121279569
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
US10022354, Example 71
CID 121279677
US10022354, Example 61
CID 121279700
Bay-588
CID 124203924
1H-Pyrazole-3,5-dicarboxamide, N,N'-bis(2-(9-acridinylamino)ethyl)-1-methyl-
CID 150385
3-N,5-N-bis[3-(acridin-9-ylamino)propyl]-1-methylpyrazole-3,5-dicarboxamide
CID 13500705
3-N,5-N-bis[4-(acridin-9-ylamino)butyl]-1-methylpyrazole-3,5-dicarboxamide
CID 13500707
3-tert-butyl-N'-[(E)-(1,2-dimethyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 6883112
Pyrazole-3-carboxylic acid quinolin-3-ylamide
CID 11651620
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 149986529

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone (CID 92552418) is [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)n[nH]1.
What is the InChIKey of [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
The InChIKey is BXKMJTYSCWPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-22(2,3)19-13-18(25-26-19)21(28)27-10-8-14(9-11-27)20-16(23)12-15-6-4-5-7-17(15)24-20/h4-7,12-14H,8-11,23H2,1-3H3,(H,25,26).
What are the key properties of [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 92552418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).