1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

C22H19N7O3 — CID 155791809

IUPAC1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCn1cc(-c2cc3ncnc(Oc4ccc(NC(=O)C5(C(N)=O)CC5)cc4)c3cn2)cn1
InChIInChI=1S/C22H19N7O3/c1-29-11-13(9-27-29)17-8-18-16(10-24-17)19(26-12-25-18)32-15-4-2-14(3-5-15)28-21(31)22(6-7-22)20(23)30/h2-5,8-12H,6-7H2,1H3,(H2,23,30)(H,28,31)
InChIKeyUCVDTACSYNRCLG-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.42
Rot. Bonds6

About 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 155791809) has the molecular formula C22H19N7O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID155791809
Molecular FormulaC22H19N7O3
Molecular Weight429.44 g/mol
Exact Mass429.15
IUPAC Name1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCn1cc(-c2cc3ncnc(Oc4ccc(NC(=O)C5(C(N)=O)CC5)cc4)c3cn2)cn1
InChIInChI=1S/C22H19N7O3/c1-29-11-13(9-27-29)17-8-18-16(10-24-17)19(26-12-25-18)32-15-4-2-14(3-5-15)28-21(31)22(6-7-22)20(23)30/h2-5,8-12H,6-7H2,1H3,(H2,23,30)(H,28,31)
InChIKeyUCVDTACSYNRCLG-UHFFFAOYSA-N
XLogP2.42
TPSA137.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-fluorophenyl)-1-N-[4-[6-(1-methylpyrazol-4-yl)quinazolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 139367669
1-N-[4-(6-carbamoyl-7-methoxyquinazolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155755700
1-N'-(4-fluorophenyl)-1-N-[4-[6-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155369022
1-N'-(4-fluorophenyl)-1-N-[4-[6-(methylcarbamoyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155368990
1-N'-(4-fluoro-2,6-dimethylphenyl)-1-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155369288
1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 134360714
1-N'-[3-fluoro-4-[[7-(1-methylsulfanylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 155276512
1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 59322773
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinazolin-7-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 142610249
1-N'-(4-fluorophenyl)-1-N-[4-[7-(2-methyltriazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155369063
1-N-[4-(6,7-dimethoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139367604
1-N'-(4-fluorophenyl)-1-N-[4-[7-(1-methylsulfonylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155369343

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 155791809) is 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is Cn1cc(-c2cc3ncnc(Oc4ccc(NC(=O)C5(C(N)=O)CC5)cc4)c3cn2)cn1.
What is the InChIKey of 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is UCVDTACSYNRCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3/c1-29-11-13(9-27-29)17-8-18-16(10-24-17)19(26-12-25-18)32-15-4-2-14(3-5-15)28-21(31)22(6-7-22)20(23)30/h2-5,8-12H,6-7H2,1H3,(H2,23,30)(H,28,31).
What are the key properties of 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 429.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-[7-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155791809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).