5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol

C22H24N4O2 — CID 175670830

IUPAC5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol
SMILESOc1c(-c2nnc(N[C@@H]3CCCC[C@H]3O)c3cnccc23)ccc2c1CCC2
InChIInChI=1S/C22H24N4O2/c27-19-7-2-1-6-18(19)24-22-17-12-23-11-10-15(17)20(25-26-22)16-9-8-13-4-3-5-14(13)21(16)28/h8-12,18-19,27-28H,1-7H2,(H,24,26)/t18-,19-/m1/s1
InChIKeyAHBMWXRUUKLMRG-RTBURBONSA-N
MW376.46 g/mol
LogP3.60
Rot. Bonds3

About 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol

5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol (PubChem CID 175670830) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol
PubChem CID175670830
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol
SMILESOc1c(-c2nnc(N[C@@H]3CCCC[C@H]3O)c3cnccc23)ccc2c1CCC2
InChIInChI=1S/C22H24N4O2/c27-19-7-2-1-6-18(19)24-22-17-12-23-11-10-15(17)20(25-26-22)16-9-8-13-4-3-5-14(13)21(16)28/h8-12,18-19,27-28H,1-7H2,(H,24,26)/t18-,19-/m1/s1
InChIKeyAHBMWXRUUKLMRG-RTBURBONSA-N
XLogP3.60
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol (CID 175670830) is 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol is Oc1c(-c2nnc(N[C@@H]3CCCC[C@H]3O)c3cnccc23)ccc2c1CCC2.
What is the InChIKey of 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is AHBMWXRUUKLMRG-RTBURBONSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-19-7-2-1-6-18(19)24-22-17-12-23-11-10-15(17)20(25-26-22)16-9-8-13-4-3-5-14(13)21(16)28/h8-12,18-19,27-28H,1-7H2,(H,24,26)/t18-,19-/m1/s1.
What are the key properties of 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol?
5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 376.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 175670830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).