4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol

C24H29ClFN7O — CID 144555011

IUPAC4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol
SMILESNc1ncnc(N2CCC(c3nc(-c4ccc(F)c(Cl)c4)cn3CCN3CCCC3)CC2)c1O
InChIInChI=1S/C24H29ClFN7O/c25-18-13-17(3-4-19(18)26)20-14-33(12-11-31-7-1-2-8-31)23(30-20)16-5-9-32(10-6-16)24-21(34)22(27)28-15-29-24/h3-4,13-16,34H,1-2,5-12H2,(H2,27,28,29)
InChIKeyCHVATKSSMGYLEU-UHFFFAOYSA-N
MW486.00 g/mol
LogP3.90
Rot. Bonds6

About 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol

4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol (PubChem CID 144555011) has the molecular formula C24H29ClFN7O and a molecular weight of 486.00 g/mol. Its IUPAC name is 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol.

Molecular Properties

Compound Name4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol
PubChem CID144555011
Molecular FormulaC24H29ClFN7O
Molecular Weight486.00 g/mol
Exact Mass485.21
IUPAC Name4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol
SMILESNc1ncnc(N2CCC(c3nc(-c4ccc(F)c(Cl)c4)cn3CCN3CCCC3)CC2)c1O
InChIInChI=1S/C24H29ClFN7O/c25-18-13-17(3-4-19(18)26)20-14-33(12-11-31-7-1-2-8-31)23(30-20)16-5-9-32(10-6-16)24-21(34)22(27)28-15-29-24/h3-4,13-16,34H,1-2,5-12H2,(H2,27,28,29)
InChIKeyCHVATKSSMGYLEU-UHFFFAOYSA-N
XLogP3.90
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol with MolForge

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Related Compounds

5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450740
5-cyclobutyl-6-[4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450384
5-(4-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-piperidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450703
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-cyclobutylpyrimidin-4-amine
CID 164628705
4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(3-chloro-4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 74766669
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-yloxypyrimidin-4-amine
CID 71516690
4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
CID 141413246
5-bromo-6-[4-[1-(2-pyrrolidin-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450290
5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255758
4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 74766899
6-[4-[4-(3-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-7-methyl-9H-purin-8-one
CID 59322408
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 59322372

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol?
The IUPAC name of 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol (CID 144555011) is 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol.
What is the SMILES notation for 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol?
The canonical SMILES for 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol is Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(Cl)c4)cn3CCN3CCCC3)CC2)c1O.
What is the InChIKey of 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol?
The InChIKey is CHVATKSSMGYLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN7O/c25-18-13-17(3-4-19(18)26)20-14-33(12-11-31-7-1-2-8-31)23(30-20)16-5-9-32(10-6-16)24-21(34)22(27)28-15-29-24/h3-4,13-16,34H,1-2,5-12H2,(H2,27,28,29).
What are the key properties of 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol?
4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol has a molecular weight of 486.00 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol is sourced from PubChem (CID 144555011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).