5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C26H25ClF3N7O — CID 171530564

IUPAC5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)c(Cl)c1)CC2
InChIInChI=1S/C26H25ClF3N7O/c1-35-12-20(26(28,29)30)33-24(35)16-7-6-15(10-18(16)27)37-9-8-19-17(11-37)23(34-36(19)2)21-22(14-4-5-14)31-13-32-25(21)38-3/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3
InChIKeyYVRAXBFLSYZJCC-UHFFFAOYSA-N
MW543.98 g/mol
LogP5.40
Rot. Bonds5

About 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 171530564) has the molecular formula C26H25ClF3N7O and a molecular weight of 543.98 g/mol. Its IUPAC name is 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID171530564
Molecular FormulaC26H25ClF3N7O
Molecular Weight543.98 g/mol
Exact Mass543.18
IUPAC Name5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)c(Cl)c1)CC2
InChIInChI=1S/C26H25ClF3N7O/c1-35-12-20(26(28,29)30)33-24(35)16-7-6-15(10-18(16)27)37-9-8-19-17(11-37)23(34-36(19)2)21-22(14-4-5-14)31-13-32-25(21)38-3/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3
InChIKeyYVRAXBFLSYZJCC-UHFFFAOYSA-N
XLogP5.40
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.98
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 171530564) is 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)c(Cl)c1)CC2.
What is the InChIKey of 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is YVRAXBFLSYZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N7O/c1-35-12-20(26(28,29)30)33-24(35)16-7-6-15(10-18(16)27)37-9-8-19-17(11-37)23(34-36(19)2)21-22(14-4-5-14)31-13-32-25(21)38-3/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 543.98 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 171530564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).