4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C20H21N5O — CID 136597131

IUPAC4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5ccccc5[nH]4)n3n2)CC1
InChIInChI=1S/C20H21N5O/c26-15-7-5-14(6-8-15)22-19-9-10-20-21-12-18(25(20)24-19)17-11-13-3-1-2-4-16(13)23-17/h1-4,9-12,14-15,23,26H,5-8H2,(H,22,24)
InChIKeyBUSXVALTGJYFRQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.59
Rot. Bonds3

About 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 136597131) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID136597131
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cc5ccccc5[nH]4)n3n2)CC1
InChIInChI=1S/C20H21N5O/c26-15-7-5-14(6-8-15)22-19-9-10-20-21-12-18(25(20)24-19)17-11-13-3-1-2-4-16(13)23-17/h1-4,9-12,14-15,23,26H,5-8H2,(H,22,24)
InChIKeyBUSXVALTGJYFRQ-UHFFFAOYSA-N
XLogP3.59
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 136597131) is 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3ncc(-c4cc5ccccc5[nH]4)n3n2)CC1.
What is the InChIKey of 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is BUSXVALTGJYFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-15-7-5-14(6-8-15)22-19-9-10-20-21-12-18(25(20)24-19)17-11-13-3-1-2-4-16(13)23-17/h1-4,9-12,14-15,23,26H,5-8H2,(H,22,24).
What are the key properties of 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 347.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 136597131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).