3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

C24H26ClN7 — CID 157038268

IUPAC3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCNc1cccc(-c2nn3ccc(NC4CCNCC4)nc3c2-c2cc(C)nc(Cl)c2)c1
InChIInChI=1S/C24H26ClN7/c1-15-12-17(14-20(25)28-15)22-23(16-4-3-5-19(13-16)26-2)31-32-11-8-21(30-24(22)32)29-18-6-9-27-10-7-18/h3-5,8,11-14,18,26-27H,6-7,9-10H2,1-2H3,(H,29,30)
InChIKeyAIFWEMMFBMJAGP-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.63
Rot. Bonds5

About 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 157038268) has the molecular formula C24H26ClN7 and a molecular weight of 447.97 g/mol. Its IUPAC name is 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID157038268
Molecular FormulaC24H26ClN7
Molecular Weight447.97 g/mol
Exact Mass447.19
IUPAC Name3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCNc1cccc(-c2nn3ccc(NC4CCNCC4)nc3c2-c2cc(C)nc(Cl)c2)c1
InChIInChI=1S/C24H26ClN7/c1-15-12-17(14-20(25)28-15)22-23(16-4-3-5-19(13-16)26-2)31-32-11-8-21(30-24(22)32)29-18-6-9-27-10-7-18/h3-5,8,11-14,18,26-27H,6-7,9-10H2,1-2H3,(H,29,30)
InChIKeyAIFWEMMFBMJAGP-UHFFFAOYSA-N
XLogP4.63
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-chloro-6-methyl-4-pyridinyl)-5-[[(3S)-oxolan-3-yl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038432
3-[3-(2-chloro-6-methyl-4-pyridinyl)-5-[(4-hydroxyoxolan-3-yl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038459
3-[3-(2-chloro-6-methyl-4-pyridinyl)-5-[[(2R)-2-hydroxypropyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038671
3-[3-(2,6-dimethyl-4-pyridinyl)-5-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038163
3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 168819667
tert-butyl (3S)-3-[[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]carbamoylamino]pyrrolidine-1-carboxylate
CID 157038407
3-[5-chloro-3-(2,6-dimethyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038252
3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 157038445
3-[3-(2-chloro-6-methyl-4-pyridinyl)-5-(1-imino-1-oxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038437
3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide
CID 175885580
2-chloro-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 59210366
[(2-amino-2-methylpropyl)-[[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]carbamoyl]amino] 2,2,2-trifluoroacetate
CID 157038676

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 157038268) is 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is CNc1cccc(-c2nn3ccc(NC4CCNCC4)nc3c2-c2cc(C)nc(Cl)c2)c1.
What is the InChIKey of 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is AIFWEMMFBMJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7/c1-15-12-17(14-20(25)28-15)22-23(16-4-3-5-19(13-16)26-2)31-32-11-8-21(30-24(22)32)29-18-6-9-27-10-7-18/h3-5,8,11-14,18,26-27H,6-7,9-10H2,1-2H3,(H,29,30).
What are the key properties of 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 447.97 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methyl-4-pyridinyl)-2-[3-(methylamino)phenyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 157038268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).