2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide

C26H27N5O2 — CID 46889206

IUPAC2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C26H27N5O2/c1-15(2)31-12-10-18(11-13-31)28-25(33)17-8-9-19-20(14-17)23-21(24(19)32)22(29-26(27)30-23)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,28,33)(H2,27,29,30)
InChIKeyZUNBFPQTZYAJAK-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.54
Rot. Bonds4

About 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide

2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide (PubChem CID 46889206) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide
PubChem CID46889206
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C26H27N5O2/c1-15(2)31-12-10-18(11-13-31)28-25(33)17-8-9-19-20(14-17)23-21(24(19)32)22(29-26(27)30-23)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,28,33)(H2,27,29,30)
InChIKeyZUNBFPQTZYAJAK-UHFFFAOYSA-N
XLogP3.54
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide?
The IUPAC name of 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide (CID 46889206) is 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide?
The canonical SMILES for 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide is CC(C)N1CCC(NC(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1.
What is the InChIKey of 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide?
The InChIKey is ZUNBFPQTZYAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-15(2)31-12-10-18(11-13-31)28-25(33)17-8-9-19-20(14-17)23-21(24(19)32)22(29-26(27)30-23)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,28,33)(H2,27,29,30).
What are the key properties of 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide?
2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-phenyl-N-(1-propan-2-ylpiperidin-4-yl)indeno[1,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 46889206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).