5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one

C30H30Cl2N10O2 — CID 143090320

IUPAC5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(CCCc4cnn5c(NCc6ccc(=O)n(C)c6)cc(Cl)nc45)c(=O)c3)cc(Cl)nc12
InChIInChI=1S/C30H30Cl2N10O2/c1-3-21-16-35-41-25(12-23(31)37-29(21)41)33-14-19-8-10-40(28(44)11-19)9-4-5-22-17-36-42-26(13-24(32)38-30(22)42)34-15-20-6-7-27(43)39(2)18-20/h6-8,10-13,16-18,33-34H,3-5,9,14-15H2,1-2H3
InChIKeyRDZFCJHRQPKRFM-UHFFFAOYSA-N
MW633.54 g/mol
LogP4.36
Rot. Bonds11

About 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one

5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one (PubChem CID 143090320) has the molecular formula C30H30Cl2N10O2 and a molecular weight of 633.54 g/mol. Its IUPAC name is 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
PubChem CID143090320
Molecular FormulaC30H30Cl2N10O2
Molecular Weight633.54 g/mol
Exact Mass632.19
IUPAC Name5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(CCCc4cnn5c(NCc6ccc(=O)n(C)c6)cc(Cl)nc45)c(=O)c3)cc(Cl)nc12
InChIInChI=1S/C30H30Cl2N10O2/c1-3-21-16-35-41-25(12-23(31)37-29(21)41)33-14-19-8-10-40(28(44)11-19)9-4-5-22-17-36-42-26(13-24(32)38-30(22)42)34-15-20-6-7-27(43)39(2)18-20/h6-8,10-13,16-18,33-34H,3-5,9,14-15H2,1-2H3
InChIKeyRDZFCJHRQPKRFM-UHFFFAOYSA-N
XLogP4.36
TPSA128.44 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
CID 23569317
1-ethyl-4-[[[8-[4-[4-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-oxo-1-pyridinyl]butyl]-2-[[(1S,2R)-2-methylcyclohexyl]amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one
CID 143097918
4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 11221666
2-[2-[[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]ethoxy]ethanesulfonyl chloride
CID 164925844
1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one
CID 23569269
5-[[(4-amino-7-methyl-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-trien-2-yl)amino]methyl]-1-methylpyridin-2-one
CID 143587239
5-N-cyclohexyl-3-ethyl-7-N-[(1-methylbenzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;methanol;molecular hydrogen
CID 143090525
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21067401
[(1R,2S)-2-[[3-ethenyl-7-[(1-methyl-6-oxo-3-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methyl (2S)-2-aminopropanoate
CID 163427092
2-trimethylsilylethyl N-[2-[2-[2-[2-[2-[2-[2-[5-[[[3-ethyl-5-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-oxo-1-pyridinyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 171081171
3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21067231
3-bromo-5-chloro-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 176916956

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one (CID 143090320) is 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one is CCc1cnn2c(NCc3ccn(CCCc4cnn5c(NCc6ccc(=O)n(C)c6)cc(Cl)nc45)c(=O)c3)cc(Cl)nc12.
What is the InChIKey of 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
The InChIKey is RDZFCJHRQPKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N10O2/c1-3-21-16-35-41-25(12-23(31)37-29(21)41)33-14-19-8-10-40(28(44)11-19)9-4-5-22-17-36-42-26(13-24(32)38-30(22)42)34-15-20-6-7-27(43)39(2)18-20/h6-8,10-13,16-18,33-34H,3-5,9,14-15H2,1-2H3.
What are the key properties of 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one has a molecular weight of 633.54 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-chloro-3-[3-[4-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-oxo-1-pyridinyl]propyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 143090320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).