1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C24H18FN5O3 — CID 139349102

IUPAC1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4ccncc34)cc2)CC1
InChIInChI=1S/C24H18FN5O3/c25-15-1-3-16(4-2-15)29-22(31)24(10-11-24)23(32)30-17-5-7-18(8-6-17)33-21-19-13-26-12-9-20(19)27-14-28-21/h1-9,12-14H,10-11H2,(H,29,31)(H,30,32)
InChIKeyDTKKTUUDABIULF-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.31
Rot. Bonds6

About 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 139349102) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID139349102
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC Name1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4ccncc34)cc2)CC1
InChIInChI=1S/C24H18FN5O3/c25-15-1-3-16(4-2-15)29-22(31)24(10-11-24)23(32)30-17-5-7-18(8-6-17)33-21-19-13-26-12-9-20(19)27-14-28-21/h1-9,12-14H,10-11H2,(H,29,31)(H,30,32)
InChIKeyDTKKTUUDABIULF-UHFFFAOYSA-N
XLogP4.31
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
1-[3-Methyl-4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
CID 25113168
1-N'-[4-(2-anilinopyrimidin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90644957
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
CID 16221977
4-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 16222081
4-(6,7-Difluoro-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 22707526
4-(6-Fluoro-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 22707603
1-(3-Methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-3-phenylurea
CID 44581528
2-anilino-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 46929748
4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 57399506
5-[(7-acetyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394203

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 139349102) is 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4ccncc34)cc2)CC1.
What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DTKKTUUDABIULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c25-15-1-3-16(4-2-15)29-22(31)24(10-11-24)23(32)30-17-5-7-18(8-6-17)33-21-19-13-26-12-9-20(19)27-14-28-21/h1-9,12-14H,10-11H2,(H,29,31)(H,30,32).
What are the key properties of 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 443.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-fluorophenyl)-1-N-(4-pyrido[4,3-d]pyrimidin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 139349102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).