N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide

C21H23N5O — CID 126918501

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C21H23N5O/c27-21(9-16-11-22-19-6-2-1-5-17(16)19)23-10-14-12-26(13-14)20-8-15-4-3-7-18(15)24-25-20/h1-2,5-6,8,11,14,22H,3-4,7,9-10,12-13H2,(H,23,27)
InChIKeyHVUOBJWIUCXJLV-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.24
Rot. Bonds5

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 126918501) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID126918501
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C21H23N5O/c27-21(9-16-11-22-19-6-2-1-5-17(16)19)23-10-14-12-26(13-14)20-8-15-4-3-7-18(15)24-25-20/h1-2,5-6,8,11,14,22H,3-4,7,9-10,12-13H2,(H,23,27)
InChIKeyHVUOBJWIUCXJLV-UHFFFAOYSA-N
XLogP2.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919251
3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 126919277
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46420164
2-(1H-indol-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420241
2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide
CID 126939195
N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280202
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
CID 126919448
N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920306

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide (CID 126918501) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCC1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is HVUOBJWIUCXJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(9-16-11-22-19-6-2-1-5-17(16)19)23-10-14-12-26(13-14)20-8-15-4-3-7-18(15)24-25-20/h1-2,5-6,8,11,14,22H,3-4,7,9-10,12-13H2,(H,23,27).
What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide?
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.24, 5 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]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 126918501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).