N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline

C78H73N17O5 — CID 157089722

IUPACN-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline
SMILESCC(=O)C1=C(c2ccccc2)CC(c2ccnc(N(C(C)=O)C(C)=O)n2)=C1.CC(=O)n1nc(-c2cnc3ccccc3c2)cc1NC(=O)CC(C)CN1CCCCC1.Cc1cc(-c2cnc3ccccc3c2)n[nH]1.c1ccc2ncc(-c3cc(-c4ccc(C5=NN=NC5)cc4)[nH]n3)cc2c1
InChIInChI=1S/C24H29N5O2.C21H19N3O3.C20H14N6.C13H11N3/c1-17(16-28-10-6-3-7-11-28)12-24(31)26-23-14-22(27-29(23)18(2)30)20-13-19-8-4-5-9-21(19)25-15-20;1-13(25)18-11-17(12-19(18)16-7-5-4-6-8-16)20-9-10-22-21(23-20)24(14(2)26)15(3)27;1-2-4-17-15(3-1)9-16(11-21-17)19-10-18(23-24-19)13-5-7-14(8-6-13)20-12-22-26-25-20;1-9-6-13(16-15-9)11-7-10-4-2-3-5-12(10)14-8-11/h4-5,8-9,13-15,17H,3,6-7,10-12,16H2,1-2H3,(H,26,31);4-11H,12H2,1-3H3;1-11H,12H2,(H,23,24);2-8H,1H3,(H,15,16)
InChIKeyAENGVEUFTWPMRL-UHFFFAOYSA-N
MW1328.56 g/mol
LogP14.81
Rot. Bonds14

About N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline

N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline (PubChem CID 157089722) has the molecular formula C78H73N17O5 and a molecular weight of 1328.56 g/mol. Its IUPAC name is N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline.

Molecular Properties

Compound NameN-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline
PubChem CID157089722
Molecular FormulaC78H73N17O5
Molecular Weight1328.56 g/mol
Exact Mass1327.60
IUPAC NameN-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline
SMILESCC(=O)C1=C(c2ccccc2)CC(c2ccnc(N(C(C)=O)C(C)=O)n2)=C1.CC(=O)n1nc(-c2cnc3ccccc3c2)cc1NC(=O)CC(C)CN1CCCCC1.Cc1cc(-c2cnc3ccccc3c2)n[nH]1.c1ccc2ncc(-c3cc(-c4ccc(C5=NN=NC5)cc4)[nH]n3)cc2c1
InChIInChI=1S/C24H29N5O2.C21H19N3O3.C20H14N6.C13H11N3/c1-17(16-28-10-6-3-7-11-28)12-24(31)26-23-14-22(27-29(23)18(2)30)20-13-19-8-4-5-9-21(19)25-15-20;1-13(25)18-11-17(12-19(18)16-7-5-4-6-8-16)20-9-10-22-21(23-20)24(14(2)26)15(3)27;1-2-4-17-15(3-1)9-16(11-21-17)19-10-18(23-24-19)13-5-7-14(8-6-13)20-12-22-26-25-20;1-9-6-13(16-15-9)11-7-10-4-2-3-5-12(10)14-8-11/h4-5,8-9,13-15,17H,3,6-7,10-12,16H2,1-2H3,(H,26,31);4-11H,12H2,1-3H3;1-11H,12H2,(H,23,24);2-8H,1H3,(H,15,16)
InChIKeyAENGVEUFTWPMRL-UHFFFAOYSA-N
XLogP14.81
TPSA280.57 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.56
LogP ≤ 514.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline with MolForge

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Related Compounds

N-[4-fluoro-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-[4-[1-[4-[(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)amino]-2,2-dimethyl-4-oxobutyl]piperidin-3-yl]piperidin-1-yl]-3,3-dimethylbutanamide
CID 91003507
N-[5-[1-[1-[4-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3,3-dimethyl-4-oxobutyl]piperidin-2-yl]quinolin-1-ium-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 91399175
N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 158994805
N-[5-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide;N-[5-(1-ethylindol-5-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;4-[(2S)-2-methylpiperidin-1-yl]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;4-pyrrolidin-1-yl-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)butanamide
CID 161829950
2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 90808839
3-methyl-N-[5-[7-[1-[2-methyl-4-oxo-4-[(5-quinolin-6-yl-1H-pyrazol-3-yl)amino]butyl]pyrrolidin-3-yl]quinolin-3-yl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 90951693
N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 90972489
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
CID 91198563
3-[[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoyl]-2-[[6-(4-methylimidazol-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimido[5,4-d]pyrimidin-8-yl]amino]-N-(2-tert-butyl-4-pyridinyl)-4-methylbenzamide
CID 91564782
2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 143928708
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-methylacetamide;5-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-4-methylpentan-2-one;2-propyl-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 157702139
2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;1-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-2-one;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-2-one;2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile
CID 157853038

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline?
The IUPAC name of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline (CID 157089722) is N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline.
What is the SMILES notation for N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline?
The canonical SMILES for N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline is CC(=O)C1=C(c2ccccc2)CC(c2ccnc(N(C(C)=O)C(C)=O)n2)=C1.CC(=O)n1nc(-c2cnc3ccccc3c2)cc1NC(=O)CC(C)CN1CCCCC1.Cc1cc(-c2cnc3ccccc3c2)n[nH]1.c1ccc2ncc(-c3cc(-c4ccc(C5=NN=NC5)cc4)[nH]n3)cc2c1.
What is the InChIKey of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline?
The InChIKey is AENGVEUFTWPMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.C21H19N3O3.C20H14N6.C13H11N3/c1-17(16-28-10-6-3-7-11-28)12-24(31)26-23-14-22(27-29(23)18(2)30)20-13-19-8-4-5-9-21(19)25-15-20;1-13(25)18-11-17(12-19(18)16-7-5-4-6-8-16)20-9-10-22-21(23-20)24(14(2)26)15(3)27;1-2-4-17-15(3-1)9-16(11-21-17)19-10-18(23-24-19)13-5-7-14(8-6-13)20-12-22-26-25-20;1-9-6-13(16-15-9)11-7-10-4-2-3-5-12(10)14-8-11/h4-5,8-9,13-15,17H,3,6-7,10-12,16H2,1-2H3,(H,26,31);4-11H,12H2,1-3H3;1-11H,12H2,(H,23,24);2-8H,1H3,(H,15,16).
What are the key properties of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline?
N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline has a molecular weight of 1328.56 g/mol, XLogP of 14.81, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-(1-acetyl-3-quinolin-3-ylpyrazol-5-yl)-3-methyl-4-piperidin-1-ylbutanamide;3-(5-methyl-1H-pyrazol-3-yl)quinoline;3-[5-[4-(4H-triazol-5-yl)phenyl]-1H-pyrazol-3-yl]quinoline is sourced from PubChem (CID 157089722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).