7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide

C28H28N4O2 — CID 158118957

IUPAC7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2c1Cc1cc(C(=O)N3CCN(CC4CC4)CC3)ccc1-2
InChIInChI=1S/C28H28N4O2/c29-27(33)24-16-25(19-4-2-1-3-5-19)30-26-22-9-8-20(14-21(22)15-23(24)26)28(34)32-12-10-31(11-13-32)17-18-6-7-18/h1-5,8-9,14,16,18H,6-7,10-13,15,17H2,(H2,29,33)
InChIKeyFRJFXRURYYCBBJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.59
Rot. Bonds5

About 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide

7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide (PubChem CID 158118957) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide
PubChem CID158118957
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2c1Cc1cc(C(=O)N3CCN(CC4CC4)CC3)ccc1-2
InChIInChI=1S/C28H28N4O2/c29-27(33)24-16-25(19-4-2-1-3-5-19)30-26-22-9-8-20(14-21(22)15-23(24)26)28(34)32-12-10-31(11-13-32)17-18-6-7-18/h1-5,8-9,14,16,18H,6-7,10-13,15,17H2,(H2,29,33)
InChIKeyFRJFXRURYYCBBJ-UHFFFAOYSA-N
XLogP3.59
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The IUPAC name of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide (CID 158118957) is 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide.
What is the SMILES notation for 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The canonical SMILES for 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nc2c1Cc1cc(C(=O)N3CCN(CC4CC4)CC3)ccc1-2.
What is the InChIKey of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The InChIKey is FRJFXRURYYCBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c29-27(33)24-16-25(19-4-2-1-3-5-19)30-26-22-9-8-20(14-21(22)15-23(24)26)28(34)32-12-10-31(11-13-32)17-18-6-7-18/h1-5,8-9,14,16,18H,6-7,10-13,15,17H2,(H2,29,33).
What are the key properties of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide?
7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide is sourced from PubChem (CID 158118957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).