[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C19H19F2N5O2 — CID 165428451

IUPAC[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3cc(C)n(C(F)F)n3)Cc3[nH]cnc32)c1
InChIInChI=1S/C19H19F2N5O2/c1-11-6-15(24-26(11)19(20)21)18(27)25-8-14(17-16(9-25)22-10-23-17)12-4-3-5-13(7-12)28-2/h3-7,10,14,19H,8-9H2,1-2H3,(H,22,23)
InChIKeyCYSXFNBIVSAAJU-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.11
Rot. Bonds4

About [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165428451) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID165428451
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3cc(C)n(C(F)F)n3)Cc3[nH]cnc32)c1
InChIInChI=1S/C19H19F2N5O2/c1-11-6-15(24-26(11)19(20)21)18(27)25-8-14(17-16(9-25)22-10-23-17)12-4-3-5-13(7-12)28-2/h3-7,10,14,19H,8-9H2,1-2H3,(H,22,23)
InChIKeyCYSXFNBIVSAAJU-UHFFFAOYSA-N
XLogP3.11
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
N-tert-butyl-2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280456
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414850
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414856
4-N-cyclopropyl-5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414917
4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
CID 165414945
4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414948
5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414976

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165428451) is [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1cccc(C2CN(C(=O)c3cc(C)n(C(F)F)n3)Cc3[nH]cnc32)c1.
What is the InChIKey of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is CYSXFNBIVSAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-11-6-15(24-26(11)19(20)21)18(27)25-8-14(17-16(9-25)22-10-23-17)12-4-3-5-13(7-12)28-2/h3-7,10,14,19H,8-9H2,1-2H3,(H,22,23).
What are the key properties of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 387.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165428451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).