6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride

C18H21ClFN5 — CID 178140499

IUPAC6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride
SMILESCc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc2c(F)c[nH]c2c1.Cl
InChIInChI=1S/C18H20FN5.ClH/c1-11-7-17(22-13-3-2-6-20-9-13)23-24-18(11)12-4-5-14-15(19)10-21-16(14)8-12;/h4-5,7-8,10,13,20-21H,2-3,6,9H2,1H3,(H,22,23);1H/t13-;/m1./s1
InChIKeyYZYJASIOGVLGAM-BTQNPOSSSA-N
MW361.85 g/mol
LogP3.66
Rot. Bonds3

About 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride

6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride (PubChem CID 178140499) has the molecular formula C18H21ClFN5 and a molecular weight of 361.85 g/mol. Its IUPAC name is 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride
PubChem CID178140499
Molecular FormulaC18H21ClFN5
Molecular Weight361.85 g/mol
Exact Mass361.15
IUPAC Name6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride
SMILESCc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc2c(F)c[nH]c2c1.Cl
InChIInChI=1S/C18H20FN5.ClH/c1-11-7-17(22-13-3-2-6-20-9-13)23-24-18(11)12-4-5-14-15(19)10-21-16(14)8-12;/h4-5,7-8,10,13,20-21H,2-3,6,9H2,1H3,(H,22,23);1H/t13-;/m1./s1
InChIKeyYZYJASIOGVLGAM-BTQNPOSSSA-N
XLogP3.66
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride?
The IUPAC name of 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride (CID 178140499) is 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride.
What is the SMILES notation for 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride?
The canonical SMILES for 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride is Cc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc2c(F)c[nH]c2c1.Cl.
What is the InChIKey of 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride?
The InChIKey is YZYJASIOGVLGAM-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H20FN5.ClH/c1-11-7-17(22-13-3-2-6-20-9-13)23-24-18(11)12-4-5-14-15(19)10-21-16(14)8-12;/h4-5,7-8,10,13,20-21H,2-3,6,9H2,1H3,(H,22,23);1H/t13-;/m1./s1.
What are the key properties of 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride?
6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride has a molecular weight of 361.85 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-1H-indol-6-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 178140499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).