3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C23H24F3N5O2 — CID 156863638

IUPAC3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1c2nn(C)c(-c3cn(C)nc3C(F)(F)F)c2CCN1C(=O)c1ccc2c(c1)OCCC2
InChIInChI=1S/C23H24F3N5O2/c1-13-19-16(20(30(3)27-19)17-12-29(2)28-21(17)23(24,25)26)8-9-31(13)22(32)15-7-6-14-5-4-10-33-18(14)11-15/h6-7,11-13H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeyYWXCGECDHMZCJY-ZDUSSCGKSA-N
MW459.47 g/mol
LogP3.92
Rot. Bonds2

About 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 156863638) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID156863638
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1c2nn(C)c(-c3cn(C)nc3C(F)(F)F)c2CCN1C(=O)c1ccc2c(c1)OCCC2
InChIInChI=1S/C23H24F3N5O2/c1-13-19-16(20(30(3)27-19)17-12-29(2)28-21(17)23(24,25)26)8-9-31(13)22(32)15-7-6-14-5-4-10-33-18(14)11-15/h6-7,11-13H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeyYWXCGECDHMZCJY-ZDUSSCGKSA-N
XLogP3.92
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 156863638) is 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is C[C@H]1c2nn(C)c(-c3cn(C)nc3C(F)(F)F)c2CCN1C(=O)c1ccc2c(c1)OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The InChIKey is YWXCGECDHMZCJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-13-19-16(20(30(3)27-19)17-12-29(2)28-21(17)23(24,25)26)8-9-31(13)22(32)15-7-6-14-5-4-10-33-18(14)11-15/h6-7,11-13H,4-5,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 459.47 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 156863638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).