(Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine

C19H25N7 — CID 146410910

IUPAC(Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
SMILES[H]/N=C(/C=C\c1ncc(-c2cccc(N3CCNCC3)n2)[nH]1)N1CCCC1
InChIInChI=1S/C19H25N7/c20-17(25-10-1-2-11-25)6-7-18-22-14-16(23-18)15-4-3-5-19(24-15)26-12-8-21-9-13-26/h3-7,14,20-21H,1-2,8-13H2,(H,22,23)/b7-6-,20-17-
InChIKeyRNIASPSXTXKHFH-NOXCPQBRSA-N
MW351.46 g/mol
LogP1.97
Rot. Bonds4

About (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine

(Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine (PubChem CID 146410910) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
PubChem CID146410910
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name(Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
SMILES[H]/N=C(/C=C\c1ncc(-c2cccc(N3CCNCC3)n2)[nH]1)N1CCCC1
InChIInChI=1S/C19H25N7/c20-17(25-10-1-2-11-25)6-7-18-22-14-16(23-18)15-4-3-5-19(24-15)26-12-8-21-9-13-26/h3-7,14,20-21H,1-2,8-13H2,(H,22,23)/b7-6-,20-17-
InChIKeyRNIASPSXTXKHFH-NOXCPQBRSA-N
XLogP1.97
TPSA83.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
2-(2'-Pyridyl)benzimidazole
CID 70821
Ngd 94-1
CID 188942
FR-79620
CID 10421577
Imidazo(4,5-b)pyridine
CID 67504
BX-912
CID 11754511
2-(1H-imidazol-2-yl)pyridine
CID 589313
IRAK4 inhibitor rac-45
CID 25169383
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
CID 163890

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
The IUPAC name of (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine (CID 146410910) is (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine is [H]/N=C(/C=C\c1ncc(-c2cccc(N3CCNCC3)n2)[nH]1)N1CCCC1.
What is the InChIKey of (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
The InChIKey is RNIASPSXTXKHFH-NOXCPQBRSA-N. The full InChI is InChI=1S/C19H25N7/c20-17(25-10-1-2-11-25)6-7-18-22-14-16(23-18)15-4-3-5-19(24-15)26-12-8-21-9-13-26/h3-7,14,20-21H,1-2,8-13H2,(H,22,23)/b7-6-,20-17-.
What are the key properties of (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
(Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine has a molecular weight of 351.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(6-piperazin-1-yl-2-pyridinyl)-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 146410910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).