3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline

C23H18Cl2N6 — CID 154605172

IUPAC3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccc(Cl)c(Cl)c3)nc2-c2ccn3nccc3c2)n1
InChIInChI=1S/C23H18Cl2N6/c1-14-3-2-4-20(28-14)23-22(15-8-10-31-17(11-15)7-9-27-31)29-21(30-23)13-26-16-5-6-18(24)19(25)12-16/h2-12,26H,13H2,1H3,(H,29,30)
InChIKeyNOOCXPJPQGRKGX-UHFFFAOYSA-N
MW449.35 g/mol
LogP6.01
Rot. Bonds5

About 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline

3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline (PubChem CID 154605172) has the molecular formula C23H18Cl2N6 and a molecular weight of 449.35 g/mol. Its IUPAC name is 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline
PubChem CID154605172
Molecular FormulaC23H18Cl2N6
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccc(Cl)c(Cl)c3)nc2-c2ccn3nccc3c2)n1
InChIInChI=1S/C23H18Cl2N6/c1-14-3-2-4-20(28-14)23-22(15-8-10-31-17(11-15)7-9-27-31)29-21(30-23)13-26-16-5-6-18(24)19(25)12-16/h2-12,26H,13H2,1H3,(H,29,30)
InChIKeyNOOCXPJPQGRKGX-UHFFFAOYSA-N
XLogP6.01
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-amine
CID 154605201
4-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766469
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 139569355
3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine
CID 159522374
2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
CID 142081726
2-N'-tert-butyl-2-N-methyl-5-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1,3-dihydroindene-2,2,5-triamine
CID 156686998
3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-5-(pyrrolidin-1-ylmethyl)benzonitrile
CID 58577987
2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766013
N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline
CID 166923603
N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine
CID 166923207
methyl 5-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]-2-fluorobenzoate
CID 166923133
(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
CID 155582412

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline (CID 154605172) is 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2[nH]c(CNc3ccc(Cl)c(Cl)c3)nc2-c2ccn3nccc3c2)n1.
What is the InChIKey of 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is NOOCXPJPQGRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6/c1-14-3-2-4-20(28-14)23-22(15-8-10-31-17(11-15)7-9-27-31)29-21(30-23)13-26-16-5-6-18(24)19(25)12-16/h2-12,26H,13H2,1H3,(H,29,30).
What are the key properties of 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline?
3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 449.35 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-pyrazolo[1,5-a]pyridin-5-yl-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 154605172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).