4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile

C41H30Br2Cl2N12 — CID 157138815

IUPAC4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c(CN)c2c(Br)cnn2c1NCc1cccnc1.N#Cc1c(-c2ccccc2Cl)c(N)c2c(Br)cnn2c1NCc1cccnc1
InChIInChI=1S/C21H16BrClN6.C20H14BrClN6/c22-17-12-28-29-20(17)15(8-24)19(14-5-1-2-6-18(14)23)16(9-25)21(29)27-11-13-4-3-7-26-10-13;21-15-11-27-28-19(15)18(24)17(13-5-1-2-6-16(13)22)14(8-23)20(28)26-10-12-4-3-7-25-9-12/h1-7,10,12,27H,8,11,24H2;1-7,9,11,26H,10,24H2
InChIKeyAJYGVYAATCWQDE-UHFFFAOYSA-N
MW921.49 g/mol
LogP9.63
Rot. Bonds9

About 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile

4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 157138815) has the molecular formula C41H30Br2Cl2N12 and a molecular weight of 921.49 g/mol. Its IUPAC name is 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID157138815
Molecular FormulaC41H30Br2Cl2N12
Molecular Weight921.49 g/mol
Exact Mass918.05
IUPAC Name4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c(CN)c2c(Br)cnn2c1NCc1cccnc1.N#Cc1c(-c2ccccc2Cl)c(N)c2c(Br)cnn2c1NCc1cccnc1
InChIInChI=1S/C21H16BrClN6.C20H14BrClN6/c22-17-12-28-29-20(17)15(8-24)19(14-5-1-2-6-18(14)23)16(9-25)21(29)27-11-13-4-3-7-26-10-13;21-15-11-27-28-19(15)18(24)17(13-5-1-2-6-16(13)22)14(8-23)20(28)26-10-12-4-3-7-25-9-12/h1-7,10,12,27H,8,11,24H2;1-7,9,11,26H,10,24H2
InChIKeyAJYGVYAATCWQDE-UHFFFAOYSA-N
XLogP9.63
TPSA184.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.49
LogP ≤ 59.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile with MolForge

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Related Compounds

US10023570, Example 454
CID 124199386
US10023570, Example 455
CID 124199387
US10023570, Example 140
CID 124200446
US10023570, Example 430
CID 126740244
US10023570, Example 425
CID 126740364
N'-(2-chloro-5-fluorophenyl)-4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375308
N'-(2-chloro-5-fluorophenyl)-4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(methylidene-lambda3-bromanyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375663
6-bromo-N'-(2-chloro-5-fluorophenyl)-4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375849
N'-(2-chloro-5-fluorophenyl)-4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375906
5-(2-Chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
CID 16660388
3-Bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4,6-dicarbonitrile
CID 16660389
4-Amino-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile
CID 16660558

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile (CID 157138815) is 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile is N#Cc1c(-c2ccccc2Cl)c(CN)c2c(Br)cnn2c1NCc1cccnc1.N#Cc1c(-c2ccccc2Cl)c(N)c2c(Br)cnn2c1NCc1cccnc1.
What is the InChIKey of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is AJYGVYAATCWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN6.C20H14BrClN6/c22-17-12-28-29-20(17)15(8-24)19(14-5-1-2-6-18(14)23)16(9-25)21(29)27-11-13-4-3-7-26-10-13;21-15-11-27-28-19(15)18(24)17(13-5-1-2-6-16(13)22)14(8-23)20(28)26-10-12-4-3-7-25-9-12/h1-7,10,12,27H,8,11,24H2;1-7,9,11,26H,10,24H2.
What are the key properties of 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile?
4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 921.49 g/mol, XLogP of 9.63, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile;4-(aminomethyl)-3-bromo-5-(2-chlorophenyl)-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 157138815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).