4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

C29H32N6 — CID 68760484

IUPAC4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCC(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(N)nc(-c5ccccn5)c4)c3)c2)CC1
InChIInChI=1S/C29H32N6/c1-21(2)35-12-10-34(11-13-35)20-22-6-5-7-23(14-22)25-15-26(19-31-18-25)24-16-28(33-29(30)17-24)27-8-3-4-9-32-27/h3-9,14-19,21H,10-13,20H2,1-2H3,(H2,30,33)
InChIKeyHRKSBYZZPBHZTL-UHFFFAOYSA-N
MW464.62 g/mol
LogP4.98
Rot. Bonds6

About 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (PubChem CID 68760484) has the molecular formula C29H32N6 and a molecular weight of 464.62 g/mol. Its IUPAC name is 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
PubChem CID68760484
Molecular FormulaC29H32N6
Molecular Weight464.62 g/mol
Exact Mass464.27
IUPAC Name4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCC(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(N)nc(-c5ccccn5)c4)c3)c2)CC1
InChIInChI=1S/C29H32N6/c1-21(2)35-12-10-34(11-13-35)20-22-6-5-7-23(14-22)25-15-26(19-31-18-25)24-16-28(33-29(30)17-24)27-8-3-4-9-32-27/h3-9,14-19,21H,10-13,20H2,1-2H3,(H2,30,33)
InChIKeyHRKSBYZZPBHZTL-UHFFFAOYSA-N
XLogP4.98
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-[5-(2-tert-butyl-6-pyridin-2-yl-4-pyridinyl)-3-pyridinyl]phenyl]methyl]-4-propan-2-ylpiperazine
CID 68762413
[4-[5-[1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrazol-4-yl]-3-pyridinyl]-6-pyridin-2-yl-2-pyridinyl]methanamine
CID 68760504
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine
CID 141348541
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
CID 75514982
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 137218647
3-[[[6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenol
CID 24863717
(3aR,5R,6S,7aS)-2-[(3-pyridin-2-ylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56882860
1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1,4-diazepane
CID 59037165

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (CID 68760484) is 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is CC(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(N)nc(-c5ccccn5)c4)c3)c2)CC1.
What is the InChIKey of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The InChIKey is HRKSBYZZPBHZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6/c1-21(2)35-12-10-34(11-13-35)20-22-6-5-7-23(14-22)25-15-26(19-31-18-25)24-16-28(33-29(30)17-24)27-8-3-4-9-32-27/h3-9,14-19,21H,10-13,20H2,1-2H3,(H2,30,33).
What are the key properties of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine has a molecular weight of 464.62 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 68760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).