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

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

[5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 146469298) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name	[5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID	146469298
Molecular Formula	C23H24F3N5O
Molecular Weight	443.47 g/mol
Exact Mass	443.19
IUPAC Name	[5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILES	C[C@H]1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CCN1C(=O)c1cn[nH]c1CC1CCC1
InChI	InChI=1S/C23H24F3N5O/c1-12-21-15(22(30(2)29-21)14-9-17(24)20(26)18(25)10-14)6-7-31(12)23(32)16-11-27-28-19(16)8-13-4-3-5-13/h9-13H,3-8H2,1-2H3,(H,27,28)/t12-/m0/s1
InChIKey	ICPYWNBBJNTOBX-LBPRGKRZSA-N
XLogP	4.33
TPSA	66.81 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The IUPAC name of [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 146469298) is [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

What is the SMILES notation for [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The canonical SMILES for [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is C[C@H]1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CCN1C(=O)c1cn[nH]c1CC1CCC1.

What is the InChIKey of [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The InChIKey is ICPYWNBBJNTOBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-12-21-15(22(30(2)29-21)14-9-17(24)20(26)18(25)10-14)6-7-31(12)23(32)16-11-27-28-19(16)8-13-4-3-5-13/h9-13H,3-8H2,1-2H3,(H,27,28)/t12-/m0/s1.

What are the key properties of [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

[5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 443.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(cyclobutylmethyl)-1H-pyrazol-4-yl]-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 146469298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).