N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

C21H25FN4O2 — CID 53191038

IUPACN-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C21H25FN4O2/c1-25-18-13-26(20(27)11-14-4-2-7-16(22)10-14)9-8-17(18)24-19(25)12-23-21(28)15-5-3-6-15/h2,4,7,10,15H,3,5-6,8-9,11-13H2,1H3,(H,23,28)
InChIKeyHWJHYHVGIGMISZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.10
Rot. Bonds5

About N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53191038) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53191038
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C21H25FN4O2/c1-25-18-13-26(20(27)11-14-4-2-7-16(22)10-14)9-8-17(18)24-19(25)12-23-21(28)15-5-3-6-15/h2,4,7,10,15H,3,5-6,8-9,11-13H2,1H3,(H,23,28)
InChIKeyHWJHYHVGIGMISZ-UHFFFAOYSA-N
XLogP2.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 53191038) is N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is HWJHYHVGIGMISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-25-18-13-26(20(27)11-14-4-2-7-16(22)10-14)9-8-17(18)24-19(25)12-23-21(28)15-5-3-6-15/h2,4,7,10,15H,3,5-6,8-9,11-13H2,1H3,(H,23,28).
What are the key properties of N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-fluorophenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53191038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).