2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C27H25ClF3N7O — CID 177377983

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)ccc3cnc(-c4c(Cl)cnn4C(C)C)nc32)cc1
InChIInChI=1S/C27H25ClF3N7O/c1-15(2)36-14-21(27(29,30)31)34-25(36)18-7-5-17(6-8-18)13-37-22(39)10-9-19-11-32-24(35-26(19)37)23-20(28)12-33-38(23)16(3)4/h5-12,14-16H,13H2,1-4H3
InChIKeyGRLFPMNHIDZPQW-UHFFFAOYSA-N
MW555.99 g/mol
LogP6.40
Rot. Bonds6

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177377983) has the molecular formula C27H25ClF3N7O and a molecular weight of 555.99 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID177377983
Molecular FormulaC27H25ClF3N7O
Molecular Weight555.99 g/mol
Exact Mass555.18
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)ccc3cnc(-c4c(Cl)cnn4C(C)C)nc32)cc1
InChIInChI=1S/C27H25ClF3N7O/c1-15(2)36-14-21(27(29,30)31)34-25(36)18-7-5-17(6-8-18)13-37-22(39)10-9-19-11-32-24(35-26(19)37)23-20(28)12-33-38(23)16(3)4/h5-12,14-16H,13H2,1-4H3
InChIKeyGRLFPMNHIDZPQW-UHFFFAOYSA-N
XLogP6.40
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.99
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 177377983) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CC(C)n1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)ccc3cnc(-c4c(Cl)cnn4C(C)C)nc32)cc1.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GRLFPMNHIDZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N7O/c1-15(2)36-14-21(27(29,30)31)34-25(36)18-7-5-17(6-8-18)13-37-22(39)10-9-19-11-32-24(35-26(19)37)23-20(28)12-33-38(23)16(3)4/h5-12,14-16H,13H2,1-4H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 555.99 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177377983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).