6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine

C19H21ClN4 — CID 92563327

IUPAC6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1cnc2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]c2n1
InChIInChI=1S/C19H21ClN4/c1-13-11-21-18-10-17(23-19(18)22-13)15-5-7-24(8-6-15)12-14-3-2-4-16(20)9-14/h2-4,9-11,15H,5-8,12H2,1H3,(H,22,23)
InChIKeyBEVBGWDCKVOSRR-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.30
Rot. Bonds3

About 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine

6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 92563327) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID92563327
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1cnc2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]c2n1
InChIInChI=1S/C19H21ClN4/c1-13-11-21-18-10-17(23-19(18)22-13)15-5-7-24(8-6-15)12-14-3-2-4-16(20)9-14/h2-4,9-11,15H,5-8,12H2,1H3,(H,22,23)
InChIKeyBEVBGWDCKVOSRR-UHFFFAOYSA-N
XLogP4.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3-benzoxazole
CID 75131872
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 171916198
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
1-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549839
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
CID 77080836
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine (CID 92563327) is 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine is Cc1cnc2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]c2n1.
What is the InChIKey of 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is BEVBGWDCKVOSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-13-11-21-18-10-17(23-19(18)22-13)15-5-7-24(8-6-15)12-14-3-2-4-16(20)9-14/h2-4,9-11,15H,5-8,12H2,1H3,(H,22,23).
What are the key properties of 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 340.86 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 92563327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).