1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine

C24H29N5O2 — CID 18671555

IUPAC1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine
SMILESCOc1ccc(-c2cnc(-c3ccc(N4CCN(CC5CC5)CC4)nc3)[nH]2)cc1OC
InChIInChI=1S/C24H29N5O2/c1-30-21-7-5-18(13-22(21)31-2)20-15-26-24(27-20)19-6-8-23(25-14-19)29-11-9-28(10-12-29)16-17-3-4-17/h5-8,13-15,17H,3-4,9-12,16H2,1-2H3,(H,26,27)
InChIKeySTRQWYREQXPATB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.69
Rot. Bonds7

About 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine

1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine (PubChem CID 18671555) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine
PubChem CID18671555
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine
SMILESCOc1ccc(-c2cnc(-c3ccc(N4CCN(CC5CC5)CC4)nc3)[nH]2)cc1OC
InChIInChI=1S/C24H29N5O2/c1-30-21-7-5-18(13-22(21)31-2)20-15-26-24(27-20)19-6-8-23(25-14-19)29-11-9-28(10-12-29)16-17-3-4-17/h5-8,13-15,17H,3-4,9-12,16H2,1-2H3,(H,26,27)
InChIKeySTRQWYREQXPATB-UHFFFAOYSA-N
XLogP3.69
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-2-pyridinyl]-4-methylpiperazine
CID 18671631
1-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]piperazine
CID 18671610
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridin-3-ol
CID 171356053
5-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methylsulfinylpyrimidine
CID 174640688
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
CID 61443099
(2Z,4E)-6,6,6-trifluoro-1-[3-methoxy-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]hexa-2,4-dien-2-amine
CID 129304062
[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol
CID 114920295
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine (CID 18671555) is 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine is COc1ccc(-c2cnc(-c3ccc(N4CCN(CC5CC5)CC4)nc3)[nH]2)cc1OC.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine?
The InChIKey is STRQWYREQXPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-30-21-7-5-18(13-22(21)31-2)20-15-26-24(27-20)19-6-8-23(25-14-19)29-11-9-28(10-12-29)16-17-3-4-17/h5-8,13-15,17H,3-4,9-12,16H2,1-2H3,(H,26,27).
What are the key properties of 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine?
1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine has a molecular weight of 419.53 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[5-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine is sourced from PubChem (CID 18671555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).