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

C23H19F4N5O — CID 146457447

IUPAC[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2cc(F)ccn2c1C(=O)N1CCc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)[C@@H]1C
InChIInChI=1S/C23H19F4N5O/c1-11-21(32-6-4-14(24)10-18(32)28-11)23(33)31-7-5-15-20(12(31)2)29-30(3)22(15)13-8-16(25)19(27)17(26)9-13/h4,6,8-10,12H,5,7H2,1-3H3/t12-/m0/s1
InChIKeyFUSHQRRKCQAEBU-LBPRGKRZSA-N
MW457.43 g/mol
LogP4.36
Rot. Bonds2

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

[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 146457447) has the molecular formula C23H19F4N5O and a molecular weight of 457.43 g/mol. Its IUPAC name is [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID146457447
Molecular FormulaC23H19F4N5O
Molecular Weight457.43 g/mol
Exact Mass457.15
IUPAC Name[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2cc(F)ccn2c1C(=O)N1CCc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)[C@@H]1C
InChIInChI=1S/C23H19F4N5O/c1-11-21(32-6-4-14(24)10-18(32)28-11)23(33)31-7-5-15-20(12(31)2)29-30(3)22(15)13-8-16(25)19(27)17(26)9-13/h4,6,8-10,12H,5,7H2,1-3H3/t12-/m0/s1
InChIKeyFUSHQRRKCQAEBU-LBPRGKRZSA-N
XLogP4.36
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 146457447) is [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone is Cc1nc2cc(F)ccn2c1C(=O)N1CCc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)[C@@H]1C.
What is the InChIKey of [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is FUSHQRRKCQAEBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H19F4N5O/c1-11-21(32-6-4-14(24)10-18(32)28-11)23(33)31-7-5-15-20(12(31)2)29-30(3)22(15)13-8-16(25)19(27)17(26)9-13/h4,6,8-10,12H,5,7H2,1-3H3/t12-/m0/s1.
What are the key properties of [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 457.43 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 146457447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).