2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one

C27H39N7O — CID 129095366

IUPAC2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCCn1ccnc1C1CCN(C2CCN(C(=O)C(N)Cc3cc(C)c4[nH]ncc4c3)CC2)CC1
InChIInChI=1S/C27H39N7O/c1-3-9-33-14-8-29-26(33)21-4-10-32(11-5-21)23-6-12-34(13-7-23)27(35)24(28)17-20-15-19(2)25-22(16-20)18-30-31-25/h8,14-16,18,21,23-24H,3-7,9-13,17,28H2,1-2H3,(H,30,31)
InChIKeyQFAKUZRHZJYEEO-UHFFFAOYSA-N
MW477.66 g/mol
LogP3.22
Rot. Bonds7

About 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one

2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 129095366) has the molecular formula C27H39N7O and a molecular weight of 477.66 g/mol. Its IUPAC name is 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID129095366
Molecular FormulaC27H39N7O
Molecular Weight477.66 g/mol
Exact Mass477.32
IUPAC Name2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCCn1ccnc1C1CCN(C2CCN(C(=O)C(N)Cc3cc(C)c4[nH]ncc4c3)CC2)CC1
InChIInChI=1S/C27H39N7O/c1-3-9-33-14-8-29-26(33)21-4-10-32(11-5-21)23-6-12-34(13-7-23)27(35)24(28)17-20-15-19(2)25-22(16-20)18-30-31-25/h8,14-16,18,21,23-24H,3-7,9-13,17,28H2,1-2H3,(H,30,31)
InChIKeyQFAKUZRHZJYEEO-UHFFFAOYSA-N
XLogP3.22
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.66
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one
CID 69104765
(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 155388857
3-(7-methyl-1H-indazol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 91382816
tert-butyl N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 175525691
4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 142441125
(2S)-2-amino-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 72869616
N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 175525696
1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one
CID 91807907
[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59258073
[3-[1-[(3S)-3-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl tetradecanoate
CID 163875870
[3-(7-methyl-1H-indazol-5-yl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-1,4-dihydrothieno[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate
CID 68609664
[1-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
CID 68609849

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one (CID 129095366) is 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one is CCCn1ccnc1C1CCN(C2CCN(C(=O)C(N)Cc3cc(C)c4[nH]ncc4c3)CC2)CC1.
What is the InChIKey of 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is QFAKUZRHZJYEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O/c1-3-9-33-14-8-29-26(33)21-4-10-32(11-5-21)23-6-12-34(13-7-23)27(35)24(28)17-20-15-19(2)25-22(16-20)18-30-31-25/h8,14-16,18,21,23-24H,3-7,9-13,17,28H2,1-2H3,(H,30,31).
What are the key properties of 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 477.66 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129095366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).