4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide

C23H18N6O2S — CID 69178753

IUPAC4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCn1cc(-c2sc3ncnc(N)c3c2C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C23H18N6O2S/c1-29-12-14(11-27-29)20-18(19-21(24)25-13-26-23(19)32-20)22(30)28-15-7-9-17(10-8-15)31-16-5-3-2-4-6-16/h2-13H,1H3,(H,28,30)(H2,24,25,26)
InChIKeyROUMGZNBZLJOSA-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.72
Rot. Bonds5

About 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide

4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 69178753) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID69178753
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC Name4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCn1cc(-c2sc3ncnc(N)c3c2C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C23H18N6O2S/c1-29-12-14(11-27-29)20-18(19-21(24)25-13-26-23(19)32-20)22(30)28-15-7-9-17(10-8-15)31-16-5-3-2-4-6-16/h2-13H,1H3,(H,28,30)(H2,24,25,26)
InChIKeyROUMGZNBZLJOSA-UHFFFAOYSA-N
XLogP4.72
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-N-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 69455826
4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69160437
3,4-diamino-2-N,5-N-bis(4-phenoxyphenyl)thieno[2,3-b]thiophene-2,5-dicarboxamide
CID 23972990
1-[4-[4-amino-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 70685599
4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide
CID 69058453
N-[4-[4-amino-5-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]thieno[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155308795
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 155522641
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 6539992
N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111118111
2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
CID 722851

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 69178753) is 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide is Cn1cc(-c2sc3ncnc(N)c3c2C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ROUMGZNBZLJOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-29-12-14(11-27-29)20-18(19-21(24)25-13-26-23(19)32-20)22(30)28-15-7-9-17(10-8-15)31-16-5-3-2-4-6-16/h2-13H,1H3,(H,28,30)(H2,24,25,26).
What are the key properties of 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide?
4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 69178753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).