N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide

C22H22N8O — CID 133281334

IUPACN-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCN(c3ccc4nncn4n3)CC2)nc2ccccc12
InChIInChI=1S/C22H22N8O/c31-22(24-15-5-6-15)17-13-21(25-18-4-2-1-3-16(17)18)29-11-9-28(10-12-29)20-8-7-19-26-23-14-30(19)27-20/h1-4,7-8,13-15H,5-6,9-12H2,(H,24,31)
InChIKeyFSUORVWASLPRPV-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.89
Rot. Bonds4

About N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide

N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide (PubChem CID 133281334) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide
PubChem CID133281334
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCN(c3ccc4nncn4n3)CC2)nc2ccccc12
InChIInChI=1S/C22H22N8O/c31-22(24-15-5-6-15)17-13-21(25-18-4-2-1-3-16(17)18)29-11-9-28(10-12-29)20-8-7-19-26-23-14-30(19)27-20/h1-4,7-8,13-15H,5-6,9-12H2,(H,24,31)
InChIKeyFSUORVWASLPRPV-UHFFFAOYSA-N
XLogP1.89
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
CID 133486230
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 119105652
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673
(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 95332454
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995
N-cyclopropyl-2-[2-(2-methylphenyl)morpholin-4-yl]quinoline-4-carboxamide
CID 133354287
4-oxo-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]chromene-2-carboxamide
CID 129355916
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide
CID 112802302
2,4-dimethyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357834
(3aS,6aR)-2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide (CID 133281334) is N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide is O=C(NC1CC1)c1cc(N2CCN(c3ccc4nncn4n3)CC2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide?
The InChIKey is FSUORVWASLPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c31-22(24-15-5-6-15)17-13-21(25-18-4-2-1-3-16(17)18)29-11-9-28(10-12-29)20-8-7-19-26-23-14-30(19)27-20/h1-4,7-8,13-15H,5-6,9-12H2,(H,24,31).
What are the key properties of N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide?
N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 133281334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).