2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

C24H22Cl2N6O — CID 11375067

IUPAC2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12)C(=O)N1CCCC1
InChIInChI=1S/C24H22Cl2N6O/c1-15(24(33)31-12-4-5-13-31)29-23-21-20(27-14-28-23)22(16-8-10-17(25)11-9-16)32(30-21)19-7-3-2-6-18(19)26/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,27,28,29)
InChIKeyUPRPZAXOMYDPEN-UHFFFAOYSA-N
MW481.39 g/mol
LogP5.21
Rot. Bonds5

About 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 11375067) has the molecular formula C24H22Cl2N6O and a molecular weight of 481.39 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID11375067
Molecular FormulaC24H22Cl2N6O
Molecular Weight481.39 g/mol
Exact Mass480.12
IUPAC Name2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12)C(=O)N1CCCC1
InChIInChI=1S/C24H22Cl2N6O/c1-15(24(33)31-12-4-5-13-31)29-23-21-20(27-14-28-23)22(16-8-10-17(25)11-9-16)32(30-21)19-7-3-2-6-18(19)26/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,27,28,29)
InChIKeyUPRPZAXOMYDPEN-UHFFFAOYSA-N
XLogP5.21
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]ethyl cyclopentanecarboxylate
CID 11283340
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178126580
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one;trifluoromethanol
CID 178126579
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115574255
(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
CID 95578449
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69435363
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
CID 43126506

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 11375067) is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is CC(Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12)C(=O)N1CCCC1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UPRPZAXOMYDPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O/c1-15(24(33)31-12-4-5-13-31)29-23-21-20(27-14-28-23)22(16-8-10-17(25)11-9-16)32(30-21)19-7-3-2-6-18(19)26/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,27,28,29).
What are the key properties of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 481.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 11375067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).