1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one

C48H44Cl4N12O2 — CID 157415050

IUPAC1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(-c3cc(NCc4ccc(Cl)cc4Cl)n4nccc4n3)cc2)C(=O)C1.O=C1CNCCN1c1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cc1
InChIInChI=1S/C25H24Cl2N6O.C23H20Cl2N6O/c1-2-31-11-12-32(25(34)16-31)20-7-4-17(5-8-20)22-14-24(33-23(30-22)9-10-29-33)28-15-18-3-6-19(26)13-21(18)27;24-17-4-1-16(19(25)11-17)13-27-22-12-20(29-21-7-8-28-31(21)22)15-2-5-18(6-3-15)30-10-9-26-14-23(30)32/h3-10,13-14,28H,2,11-12,15-16H2,1H3;1-8,11-12,26-27H,9-10,13-14H2
InChIKeyBOSZOCREZQMCIA-UHFFFAOYSA-N
MW962.77 g/mol
LogP9.24
Rot. Bonds11

About 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one

1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one (PubChem CID 157415050) has the molecular formula C48H44Cl4N12O2 and a molecular weight of 962.77 g/mol. Its IUPAC name is 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one
PubChem CID157415050
Molecular FormulaC48H44Cl4N12O2
Molecular Weight962.77 g/mol
Exact Mass960.25
IUPAC Name1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(-c3cc(NCc4ccc(Cl)cc4Cl)n4nccc4n3)cc2)C(=O)C1.O=C1CNCCN1c1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cc1
InChIInChI=1S/C25H24Cl2N6O.C23H20Cl2N6O/c1-2-31-11-12-32(25(34)16-31)20-7-4-17(5-8-20)22-14-24(33-23(30-22)9-10-29-33)28-15-18-3-6-19(26)13-21(18)27;24-17-4-1-16(19(25)11-17)13-27-22-12-20(29-21-7-8-28-31(21)22)15-2-5-18(6-3-15)30-10-9-26-14-23(30)32/h3-10,13-14,28H,2,11-12,15-16H2,1H3;1-8,11-12,26-27H,9-10,13-14H2
InChIKeyBOSZOCREZQMCIA-UHFFFAOYSA-N
XLogP9.24
TPSA140.33 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500962.77
LogP ≤ 59.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one with MolForge

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Related Compounds

[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 142450222
US10189836, Example 34
CID 129247021
US10189836, Example 31
CID 129269851
US10189836, Example 22
CID 129270054
1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-[(3R)-3-fluoropyrrolidin-1-yl]ethanone
CID 57781860
N-[2-[(3S)-3-[1-[1-[(1R)-2-[(5S)-1-(2-acetamidoethyl)-5-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-3-yl]-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 134225512
[4-[1-[1-(2,4-Dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 138617165
[4-[1-[1-(2,4-Dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 138617169
CID 142279209
CID 142279209
[4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 142450115
[4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 142450209
N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 157511763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one?
The IUPAC name of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one (CID 157415050) is 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one.
What is the SMILES notation for 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one?
The canonical SMILES for 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one is CCN1CCN(c2ccc(-c3cc(NCc4ccc(Cl)cc4Cl)n4nccc4n3)cc2)C(=O)C1.O=C1CNCCN1c1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cc1.
What is the InChIKey of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one?
The InChIKey is BOSZOCREZQMCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O.C23H20Cl2N6O/c1-2-31-11-12-32(25(34)16-31)20-7-4-17(5-8-20)22-14-24(33-23(30-22)9-10-29-33)28-15-18-3-6-19(26)13-21(18)27;24-17-4-1-16(19(25)11-17)13-27-22-12-20(29-21-7-8-28-31(21)22)15-2-5-18(6-3-15)30-10-9-26-14-23(30)32/h3-10,13-14,28H,2,11-12,15-16H2,1H3;1-8,11-12,26-27H,9-10,13-14H2.
What are the key properties of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one?
1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one has a molecular weight of 962.77 g/mol, XLogP of 9.24, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-4-ethylpiperazin-2-one;1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]piperazin-2-one is sourced from PubChem (CID 157415050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).