[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H19Cl2N7O — CID 134787345

IUPAC[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCn1ncc2c(-c3ccc(Cl)cc3Cl)cc(C(=O)N3CCN(c4ncccn4)CC3)nc21
InChIInChI=1S/C22H19Cl2N7O/c1-29-20-17(13-27-29)16(15-4-3-14(23)11-18(15)24)12-19(28-20)21(32)30-7-9-31(10-8-30)22-25-5-2-6-26-22/h2-6,11-13H,7-10H2,1H3
InChIKeyBVSKARWDCHPUQC-UHFFFAOYSA-N
MW468.35 g/mol
LogP3.69
Rot. Bonds3

About [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 134787345) has the molecular formula C22H19Cl2N7O and a molecular weight of 468.35 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID134787345
Molecular FormulaC22H19Cl2N7O
Molecular Weight468.35 g/mol
Exact Mass467.10
IUPAC Name[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCn1ncc2c(-c3ccc(Cl)cc3Cl)cc(C(=O)N3CCN(c4ncccn4)CC3)nc21
InChIInChI=1S/C22H19Cl2N7O/c1-29-20-17(13-27-29)16(15-4-3-14(23)11-18(15)24)12-19(28-20)21(32)30-7-9-31(10-8-30)22-25-5-2-6-26-22/h2-6,11-13H,7-10H2,1H3
InChIKeyBVSKARWDCHPUQC-UHFFFAOYSA-N
XLogP3.69
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 134795215
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134802057
[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134788228
3-(2,4-dichlorophenyl)-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568224
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
(4-methylpiperazin-1-yl)-[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109367054
(2S)-2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 40599258
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673
6-(2,4-dichlorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790626
[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 134800603
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 134787345) is [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cn1ncc2c(-c3ccc(Cl)cc3Cl)cc(C(=O)N3CCN(c4ncccn4)CC3)nc21.
What is the InChIKey of [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BVSKARWDCHPUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N7O/c1-29-20-17(13-27-29)16(15-4-3-14(23)11-18(15)24)12-19(28-20)21(32)30-7-9-31(10-8-30)22-25-5-2-6-26-22/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 468.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 134787345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).