2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

C26H35N5O2 — CID 137464388

IUPAC2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)nn(C)c1=O
InChIInChI=1S/C26H35N5O2/c1-16(2)24-20-14-19(18-9-11-31(12-10-18)15-23(32)29(4)5)7-8-21(20)27-25(24)22-13-17(3)26(33)30(6)28-22/h7-8,13-14,16,18,27H,9-12,15H2,1-6H3
InChIKeyDPWODRJTDQRDDR-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.63
Rot. Bonds5

About 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 137464388) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID137464388
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)nn(C)c1=O
InChIInChI=1S/C26H35N5O2/c1-16(2)24-20-14-19(18-9-11-31(12-10-18)15-23(32)29(4)5)7-8-21(20)27-25(24)22-13-17(3)26(33)30(6)28-22/h7-8,13-14,16,18,27H,9-12,15H2,1-6H3
InChIKeyDPWODRJTDQRDDR-UHFFFAOYSA-N
XLogP3.63
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472
N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 158763846
2-[4-[2-(5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464429
2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594572
2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594148
N,N-dimethyl-2-[4-[2-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594007
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
2-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 154639719
2-[4-[2-(5-methoxyimidazo[1,2-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594436
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 134329692
N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594755
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 137464388) is 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is Cc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3c2C(C)C)nn(C)c1=O.
What is the InChIKey of 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is DPWODRJTDQRDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-16(2)24-20-14-19(18-9-11-31(12-10-18)15-23(32)29(4)5)7-8-21(20)27-25(24)22-13-17(3)26(33)30(6)28-22/h7-8,13-14,16,18,27H,9-12,15H2,1-6H3.
What are the key properties of 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 449.60 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 137464388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).