2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one

C23H35N5O — CID 69104765

IUPAC2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one
SMILESCC(C)c1cc(CC(N)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C23H35N5O/c1-16(2)20-13-17(12-18-15-25-26-22(18)20)14-21(24)23(29)28-10-6-19(7-11-28)27-8-4-3-5-9-27/h12-13,15-16,19,21H,3-11,14,24H2,1-2H3,(H,25,26)
InChIKeyJHNABGBLRYYQLD-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.03
Rot. Bonds5

About 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one

2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one (PubChem CID 69104765) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one
PubChem CID69104765
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one
SMILESCC(C)c1cc(CC(N)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C23H35N5O/c1-16(2)20-13-17(12-18-15-25-26-22(18)20)14-21(24)23(29)28-10-6-19(7-11-28)27-8-4-3-5-9-27/h12-13,15-16,19,21H,3-11,14,24H2,1-2H3,(H,25,26)
InChIKeyJHNABGBLRYYQLD-UHFFFAOYSA-N
XLogP3.03
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-amino-3-(4-amino-3,5-dibromophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 57270181
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
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5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-7-ethyl-3-methyl-1H-benzimidazol-2-one
CID 69104666
3-(7-methyl-1H-indazol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 91382816
4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 127027501
N-[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 10077700
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
(2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91603982
2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
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(2R)-4-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-[(7-methyl-1H-indazol-5-yl)methyl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
CID 70695974
[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinazoline-4,4'-piperidine]-1'-carboxylate
CID 59424348

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one (CID 69104765) is 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one is CC(C)c1cc(CC(N)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12.
What is the InChIKey of 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one?
The InChIKey is JHNABGBLRYYQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-16(2)20-13-17(12-18-15-25-26-22(18)20)14-21(24)23(29)28-10-6-19(7-11-28)27-8-4-3-5-9-27/h12-13,15-16,19,21H,3-11,14,24H2,1-2H3,(H,25,26).
What are the key properties of 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one?
2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one has a molecular weight of 397.57 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one is sourced from PubChem (CID 69104765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).