1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine

C19H22N6 — CID 167945754

IUPAC1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cnc(-c3ccc(Cn4ccnc4)cc3)cn2)C1
InChIInChI=1S/C19H22N6/c20-17-5-7-24(12-17)13-18-9-23-19(10-22-18)16-3-1-15(2-4-16)11-25-8-6-21-14-25/h1-4,6,8-10,14,17H,5,7,11-13,20H2
InChIKeyNAGSXQNRUHBEPR-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.92
Rot. Bonds5

About 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine

1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 167945754) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine
PubChem CID167945754
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cnc(-c3ccc(Cn4ccnc4)cc3)cn2)C1
InChIInChI=1S/C19H22N6/c20-17-5-7-24(12-17)13-18-9-23-19(10-22-18)16-3-1-15(2-4-16)11-25-8-6-21-14-25/h1-4,6,8-10,14,17H,5,7,11-13,20H2
InChIKeyNAGSXQNRUHBEPR-UHFFFAOYSA-N
XLogP1.92
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71644033
1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71644418
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine
CID 63988082
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
CID 155918504
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
CID 99926038
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine (CID 167945754) is 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine is NC1CCN(Cc2cnc(-c3ccc(Cn4ccnc4)cc3)cn2)C1.
What is the InChIKey of 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is NAGSXQNRUHBEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c20-17-5-7-24(12-17)13-18-9-23-19(10-22-18)16-3-1-15(2-4-16)11-25-8-6-21-14-25/h1-4,6,8-10,14,17H,5,7,11-13,20H2.
What are the key properties of 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine?
1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 334.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-(imidazol-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 167945754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).