N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide

C20H21N5O — CID 126918502

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide (PubChem CID 126918502) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
• PubChem CID: 126918502
• Molecular Formula: C20H21N5O
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.17
• IUPAC Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
• SMILES: O=C(NCC1CN(c2cc3c(nn2)CCC3)C1)c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C20H21N5O/c26-20(16-4-5-17-15(8-16)6-7-21-17)22-10-13-11-25(12-13)19-9-14-2-1-3-18(14)23-24-19/h4-9,13,21H,1-3,10-12H2,(H,22,26)
• InChIKey: QYWHQYZOVKMMGS-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?

The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide (CID 126918502) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide.

What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?

The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide is O=C(NCC1CN(c2cc3c(nn2)CCC3)C1)c1ccc2[nH]ccc2c1.

What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?

The InChIKey is QYWHQYZOVKMMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(16-4-5-17-15(8-16)6-7-21-17)22-10-13-11-25(12-13)19-9-14-2-1-3-18(14)23-24-19/h4-9,13,21H,1-3,10-12H2,(H,22,26).

What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 126918502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).