tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride

C43H34Cl5N11O4 — CID 158950285

IUPACtert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1Cl)c1cc(-c2ccc(C#N)nc2)nc2ccnn12.Cl.O=C(O)c1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cn1
InChIInChI=1S/C24H20Cl2N6O2.C19H13Cl2N5O2.ClH/c1-24(2,3)34-23(33)31(14-16-4-6-17(25)10-19(16)26)22-11-20(30-21-8-9-29-32(21)22)15-5-7-18(12-27)28-13-15;20-13-3-1-11(14(21)7-13)9-23-18-8-16(25-17-5-6-24-26(17)18)12-2-4-15(19(27)28)22-10-12;/h4-11,13H,14H2,1-3H3;1-8,10,23H,9H2,(H,27,28);1H
InChIKeyIEUMNWDUPPVEJX-UHFFFAOYSA-N
MW946.08 g/mol
LogP10.74
Rot. Bonds9

About tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride

tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 158950285) has the molecular formula C43H34Cl5N11O4 and a molecular weight of 946.08 g/mol. Its IUPAC name is tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
PubChem CID158950285
Molecular FormulaC43H34Cl5N11O4
Molecular Weight946.08 g/mol
Exact Mass943.12
IUPAC Nametert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1Cl)c1cc(-c2ccc(C#N)nc2)nc2ccnn12.Cl.O=C(O)c1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cn1
InChIInChI=1S/C24H20Cl2N6O2.C19H13Cl2N5O2.ClH/c1-24(2,3)34-23(33)31(14-16-4-6-17(25)10-19(16)26)22-11-20(30-21-8-9-29-32(21)22)15-5-7-18(12-27)28-13-15;20-13-3-1-11(14(21)7-13)9-23-18-8-16(25-17-5-6-24-26(17)18)12-2-4-15(19(27)28)22-10-12;/h4-11,13H,14H2,1-3H3;1-8,10,23H,9H2,(H,27,28);1H
InChIKeyIEUMNWDUPPVEJX-UHFFFAOYSA-N
XLogP10.74
TPSA188.82 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.08
LogP ≤ 510.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[7-[(2,4-Dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 57781970
[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine
CID 157382625
5-[7-[(2,4-Dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-(4-ethylpiperazin-1-yl)benzamide;5-[7-[(2,4-dichlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-(4-ethylpiperazin-1-yl)benzoic acid
CID 157543765
4-[7-[(2,4-Dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 157561358
tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;(4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2R)-2-methylpentan-1-amine
CID 157779994
2-amino-5-chlorobenzoic acid;(2-amino-5-chlorophenyl)-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 158487799
5-[7-[(2-Chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
CID 159136373
2-(azidomethyl)-5-chlorobenzoic acid;tert-butyl N-[(3S)-1-[2-[(2S)-1-[2-(azidomethyl)-5-chlorobenzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate;tert-butyl (2S)-2-[6-methyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 159151310
4-[7-[(2,4-Dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 159725248
tert-butyl N-[(2-chloro-4-methylphenyl)methyl]-N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2-chloro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;N-[(2-chloro-4-methylphenyl)methyl]-5-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-chloro-4-methylphenyl)methyl]-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-[(2-fluoro-4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 160181947
(2S)-1-[5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
CID 160254709
4-(6-Chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine
CID 160582595

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride (CID 158950285) is tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1Cl)c1cc(-c2ccc(C#N)nc2)nc2ccnn12.Cl.O=C(O)c1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cn1.
What is the InChIKey of tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is IEUMNWDUPPVEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N6O2.C19H13Cl2N5O2.ClH/c1-24(2,3)34-23(33)31(14-16-4-6-17(25)10-19(16)26)22-11-20(30-21-8-9-29-32(21)22)15-5-7-18(12-27)28-13-15;20-13-3-1-11(14(21)7-13)9-23-18-8-16(25-17-5-6-24-26(17)18)12-2-4-15(19(27)28)22-10-12;/h4-11,13H,14H2,1-3H3;1-8,10,23H,9H2,(H,27,28);1H.
What are the key properties of tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride?
tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 946.08 g/mol, XLogP of 10.74, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 158950285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).