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

C18H17F2N5O2 — CID 165420842

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3cc(C(F)F)[nH]n3)Cc3[nH]cnc32)c1
InChIInChI=1S/C18H17F2N5O2/c1-27-11-4-2-3-10(5-11)12-7-25(8-15-16(12)22-9-21-15)18(26)14-6-13(17(19)20)23-24-14/h2-6,9,12,17H,7-8H2,1H3,(H,21,22)(H,23,24)
InChIKeyYFQDNEYXDLNNGX-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.87
Rot. Bonds4

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

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165420842) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID165420842
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3cc(C(F)F)[nH]n3)Cc3[nH]cnc32)c1
InChIInChI=1S/C18H17F2N5O2/c1-27-11-4-2-3-10(5-11)12-7-25(8-15-16(12)22-9-21-15)18(26)14-6-13(17(19)20)23-24-14/h2-6,9,12,17H,7-8H2,1H3,(H,21,22)(H,23,24)
InChIKeyYFQDNEYXDLNNGX-UHFFFAOYSA-N
XLogP2.87
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165420842) is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1cccc(C2CN(C(=O)c3cc(C(F)F)[nH]n3)Cc3[nH]cnc32)c1.
What is the InChIKey of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is YFQDNEYXDLNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-27-11-4-2-3-10(5-11)12-7-25(8-15-16(12)22-9-21-15)18(26)14-6-13(17(19)20)23-24-14/h2-6,9,12,17H,7-8H2,1H3,(H,21,22)(H,23,24).
What are the key properties of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 373.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165420842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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