4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine

C26H33ClN8 — CID 141413246

IUPAC4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
SMILESClc1cccc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4NCCN5)CC3)n2)c1
InChIInChI=1S/C26H33ClN8/c27-21-5-3-4-20(16-21)22-17-35(15-14-33-10-1-2-11-33)25(32-22)19-6-12-34(13-7-19)26-23-24(30-18-31-26)29-9-8-28-23/h3-5,16-19,28H,1-2,6-15H2,(H,29,30,31)
InChIKeyMSEALDBMMSVUJC-UHFFFAOYSA-N
MW493.06 g/mol
LogP4.31
Rot. Bonds6

About 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine

4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine (PubChem CID 141413246) has the molecular formula C26H33ClN8 and a molecular weight of 493.06 g/mol. Its IUPAC name is 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine.

Molecular Properties

Compound Name4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
PubChem CID141413246
Molecular FormulaC26H33ClN8
Molecular Weight493.06 g/mol
Exact Mass492.25
IUPAC Name4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
SMILESClc1cccc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4NCCN5)CC3)n2)c1
InChIInChI=1S/C26H33ClN8/c27-21-5-3-4-20(16-21)22-17-35(15-14-33-10-1-2-11-33)25(32-22)19-6-12-34(13-7-19)26-23-24(30-18-31-26)29-9-8-28-23/h3-5,16-19,28H,1-2,6-15H2,(H,29,30,31)
InChIKeyMSEALDBMMSVUJC-UHFFFAOYSA-N
XLogP4.31
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.06
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
SD-208
CID 10316032
Bms-279700
CID 9844320
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
2,4-Disubstituted Pyrimidine 2i
CID 5329422
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
Imidazole derivative 8
CID 54670731
N-(2-chloro-6-methylphenyl)-12-(4-methylpiperazin-1-yl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9866128
7-N-(2-chloro-6-methylphenyl)-12-N,12-N-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 11175620
(3-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744270

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine?
The IUPAC name of 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine (CID 141413246) is 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine.
What is the SMILES notation for 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine?
The canonical SMILES for 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine is Clc1cccc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4NCCN5)CC3)n2)c1.
What is the InChIKey of 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine?
The InChIKey is MSEALDBMMSVUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN8/c27-21-5-3-4-20(16-21)22-17-35(15-14-33-10-1-2-11-33)25(32-22)19-6-12-34(13-7-19)26-23-24(30-18-31-26)29-9-8-28-23/h3-5,16-19,28H,1-2,6-15H2,(H,29,30,31).
What are the key properties of 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine?
4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine has a molecular weight of 493.06 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine is sourced from PubChem (CID 141413246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).