2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide

C25H30N6O3 — CID 177065414

IUPAC2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide
SMILESO=C(Nc1cnc2cccnn12)c1cc2cn[nH]c2cc1OC1CC1.OCCC1CCCCC1
InChIInChI=1S/C17H14N6O2.C8H16O/c24-17(21-16-9-18-15-2-1-5-20-23(15)16)12-6-10-8-19-22-13(10)7-14(12)25-11-3-4-11;9-7-6-8-4-2-1-3-5-8/h1-2,5-9,11H,3-4H2,(H,19,22)(H,21,24);8-9H,1-7H2
InChIKeyXXXNXWJXZIWQFW-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.35
Rot. Bonds6

About 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide

2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide (PubChem CID 177065414) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide
PubChem CID177065414
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide
SMILESO=C(Nc1cnc2cccnn12)c1cc2cn[nH]c2cc1OC1CC1.OCCC1CCCCC1
InChIInChI=1S/C17H14N6O2.C8H16O/c24-17(21-16-9-18-15-2-1-5-20-23(15)16)12-6-10-8-19-22-13(10)7-14(12)25-11-3-4-11;9-7-6-8-4-2-1-3-5-8/h1-2,5-9,11H,3-4H2,(H,19,22)(H,21,24);8-9H,1-7H2
InChIKeyXXXNXWJXZIWQFW-UHFFFAOYSA-N
XLogP4.35
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-5-fluoroindol-4-yl]-1,3-diazinane-2,4-dione;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide;molecular hydrogen
CID 177065255
3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide
CID 177065411
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide
CID 177065336
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen
CID 163396322
2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate
CID 177065402
2-(3-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 167108752
2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396353
2-[(1S,2S,4R)-4-hydroxy-2-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396460
N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide
CID 169132504
N-(2-cyclohexylethyl)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)benzamide
CID 68794294
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxamide
CID 163396291
2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396597

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide?
The IUPAC name of 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide (CID 177065414) is 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide?
The canonical SMILES for 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide is O=C(Nc1cnc2cccnn12)c1cc2cn[nH]c2cc1OC1CC1.OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide?
The InChIKey is XXXNXWJXZIWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2.C8H16O/c24-17(21-16-9-18-15-2-1-5-20-23(15)16)12-6-10-8-19-22-13(10)7-14(12)25-11-3-4-11;9-7-6-8-4-2-1-3-5-8/h1-2,5-9,11H,3-4H2,(H,19,22)(H,21,24);8-9H,1-7H2.
What are the key properties of 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide?
2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 177065414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).