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

C17H17N5O — CID 139019991

IUPAC[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1cc(-c2cccc(C(=O)N3CCc4nc[nH]c4C3)c2)cn1
InChIInChI=1S/C17H17N5O/c1-21-9-14(8-20-21)12-3-2-4-13(7-12)17(23)22-6-5-15-16(10-22)19-11-18-15/h2-4,7-9,11H,5-6,10H2,1H3,(H,18,19)
InChIKeyQDXLVAYGIVBMTE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.01
Rot. Bonds2

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

[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 139019991) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID139019991
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1cc(-c2cccc(C(=O)N3CCc4nc[nH]c4C3)c2)cn1
InChIInChI=1S/C17H17N5O/c1-21-9-14(8-20-21)12-3-2-4-13(7-12)17(23)22-6-5-15-16(10-22)19-11-18-15/h2-4,7-9,11H,5-6,10H2,1H3,(H,18,19)
InChIKeyQDXLVAYGIVBMTE-UHFFFAOYSA-N
XLogP2.01
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 139019991) is [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cn1cc(-c2cccc(C(=O)N3CCc4nc[nH]c4C3)c2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QDXLVAYGIVBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-21-9-14(8-20-21)12-3-2-4-13(7-12)17(23)22-6-5-15-16(10-22)19-11-18-15/h2-4,7-9,11H,5-6,10H2,1H3,(H,18,19).
What are the key properties of [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 139019991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).