(2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C16H13Cl2N5O — CID 86270817

IUPAC(2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1
InChIInChI=1S/C16H13Cl2N5O/c17-11-3-1-2-10(15(11)18)16(24)22-7-5-13-12(8-22)19-9-23(13)14-4-6-20-21-14/h1-4,6,9H,5,7-8H2,(H,20,21)
InChIKeyCXCOEVVCWFVERF-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.10
Rot. Bonds2

About (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 86270817) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID86270817
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name(2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1
InChIInChI=1S/C16H13Cl2N5O/c17-11-3-1-2-10(15(11)18)16(24)22-7-5-13-12(8-22)19-9-23(13)14-4-6-20-21-14/h1-4,6,9H,5,7-8H2,(H,20,21)
InChIKeyCXCOEVVCWFVERF-UHFFFAOYSA-N
XLogP3.10
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 86270817) is (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is CXCOEVVCWFVERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c17-11-3-1-2-10(15(11)18)16(24)22-7-5-13-12(8-22)19-9-23(13)14-4-6-20-21-14/h1-4,6,9H,5,7-8H2,(H,20,21).
What are the key properties of (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 362.22 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 86270817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).