N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide

C19H20ClN5O2 — CID 154576436

IUPACN-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C19H20ClN5O2/c20-15-3-1-2-4-16(15)22-19(26)24-10-7-14(8-11-24)13-27-18-6-5-17-21-9-12-25(17)23-18/h1-6,9,12,14H,7-8,10-11,13H2,(H,22,26)
InChIKeyFPEACXXJBRPWGW-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.71
Rot. Bonds4

About N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide

N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide (PubChem CID 154576436) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
PubChem CID154576436
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C19H20ClN5O2/c20-15-3-1-2-4-16(15)22-19(26)24-10-7-14(8-11-24)13-27-18-6-5-17-21-9-12-25(17)23-18/h1-6,9,12,14H,7-8,10-11,13H2,(H,22,26)
InChIKeyFPEACXXJBRPWGW-UHFFFAOYSA-N
XLogP3.71
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
CID 154576499
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 154576322
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 154576480
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
CID 154576445
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 154576449
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 154576272
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151039
(3R)-N-(2-chlorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129417495
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide (CID 154576436) is N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide?
The InChIKey is FPEACXXJBRPWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-15-3-1-2-4-16(15)22-19(26)24-10-7-14(8-11-24)13-27-18-6-5-17-21-9-12-25(17)23-18/h1-6,9,12,14H,7-8,10-11,13H2,(H,22,26).
What are the key properties of N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 154576436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).