N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C19H20FN5O2 — CID 175817458

IUPACN-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(O)c2)CC1)c1cnc2cccnn12
InChIInChI=1S/C19H20FN5O2/c20-15-4-3-13(10-17(15)26)12-24-8-5-14(6-9-24)23-19(27)16-11-21-18-2-1-7-22-25(16)18/h1-4,7,10-11,14,26H,5-6,8-9,12H2,(H,23,27)
InChIKeySYFIJXDEYHHYFZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.97
Rot. Bonds4

About N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 175817458) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID175817458
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(O)c2)CC1)c1cnc2cccnn12
InChIInChI=1S/C19H20FN5O2/c20-15-4-3-13(10-17(15)26)12-24-8-5-14(6-9-24)23-19(27)16-11-21-18-2-1-7-22-25(16)18/h1-4,7,10-11,14,26H,5-6,8-9,12H2,(H,23,27)
InChIKeySYFIJXDEYHHYFZ-UHFFFAOYSA-N
XLogP1.97
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 154878663
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 136526672
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55949549
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methylsulfanylphenyl)pyrrolidin-1-yl]-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 146405330
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55981043
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 175817458) is N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1CCN(Cc2ccc(F)c(O)c2)CC1)c1cnc2cccnn12.
What is the InChIKey of N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SYFIJXDEYHHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-15-4-3-13(10-17(15)26)12-24-8-5-14(6-9-24)23-19(27)16-11-21-18-2-1-7-22-25(16)18/h1-4,7,10-11,14,26H,5-6,8-9,12H2,(H,23,27).
What are the key properties of N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 175817458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).