7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H22FN5O2 — CID 136928092

IUPAC7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)nn2c1NCCC2c1ccccc1N
InChIInChI=1S/C25H22FN5O2/c26-16-7-11-18(12-8-16)33-17-9-5-15(6-10-17)23-22(24(28)32)25-29-14-13-21(31(25)30-23)19-3-1-2-4-20(19)27/h1-12,21,29H,13-14,27H2,(H2,28,32)
InChIKeyATVWSVZIBUCRNI-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.57
Rot. Bonds5

About 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136928092) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136928092
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)nn2c1NCCC2c1ccccc1N
InChIInChI=1S/C25H22FN5O2/c26-16-7-11-18(12-8-16)33-17-9-5-15(6-10-17)23-22(24(28)32)25-29-14-13-21(31(25)30-23)19-3-1-2-4-20(19)27/h1-12,21,29H,13-14,27H2,(H2,28,32)
InChIKeyATVWSVZIBUCRNI-UHFFFAOYSA-N
XLogP4.57
TPSA108.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136928092) is 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)nn2c1NCCC2c1ccccc1N.
What is the InChIKey of 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ATVWSVZIBUCRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-16-7-11-18(12-8-16)33-17-9-5-15(6-10-17)23-22(24(28)32)25-29-14-13-21(31(25)30-23)19-3-1-2-4-20(19)27/h1-12,21,29H,13-14,27H2,(H2,28,32).
What are the key properties of 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenyl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136928092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).