2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one

C26H23FN6O2 — CID 52920358

IUPAC2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(cccc1-c1cnn(CCN3CCOCC3)c1)C2=O
InChIInChI=1S/C26H23FN6O2/c27-18-6-4-16(5-7-18)23-22-24(31-26(28)30-23)21-19(2-1-3-20(21)25(22)34)17-14-29-33(15-17)9-8-32-10-12-35-13-11-32/h1-7,14-15H,8-13H2,(H2,28,30,31)
InChIKeyDEGPOUCEWFAXKT-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.27
Rot. Bonds5

About 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one (PubChem CID 52920358) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one
PubChem CID52920358
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(cccc1-c1cnn(CCN3CCOCC3)c1)C2=O
InChIInChI=1S/C26H23FN6O2/c27-18-6-4-16(5-7-18)23-22-24(31-26(28)30-23)21-19(2-1-3-20(21)25(22)34)17-14-29-33(15-17)9-8-32-10-12-35-13-11-32/h1-7,14-15H,8-13H2,(H2,28,30,31)
InChIKeyDEGPOUCEWFAXKT-UHFFFAOYSA-N
XLogP3.27
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one (CID 52920358) is 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(cccc1-c1cnn(CCN3CCOCC3)c1)C2=O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one?
The InChIKey is DEGPOUCEWFAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-18-6-4-16(5-7-18)23-22-24(31-26(28)30-23)21-19(2-1-3-20(21)25(22)34)17-14-29-33(15-17)9-8-32-10-12-35-13-11-32/h1-7,14-15H,8-13H2,(H2,28,30,31).
What are the key properties of 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one has a molecular weight of 470.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 52920358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).