N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine

C22H17FN6O — CID 134423579

IUPACN-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine
SMILESCn1cnc(-c2cc(Oc3ccc(Nc4ncccn4)cc3F)c3cccn3c2)c1
InChIInChI=1S/C22H17FN6O/c1-28-13-18(26-14-28)15-10-21(19-4-2-9-29(19)12-15)30-20-6-5-16(11-17(20)23)27-22-24-7-3-8-25-22/h2-14H,1H3,(H,24,25,27)
InChIKeyNUBNJWXNXZWDMT-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.80
Rot. Bonds5

About N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine

N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine (PubChem CID 134423579) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine
PubChem CID134423579
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine
SMILESCn1cnc(-c2cc(Oc3ccc(Nc4ncccn4)cc3F)c3cccn3c2)c1
InChIInChI=1S/C22H17FN6O/c1-28-13-18(26-14-28)15-10-21(19-4-2-9-29(19)12-15)30-20-6-5-16(11-17(20)23)27-22-24-7-3-8-25-22/h2-14H,1H3,(H,24,25,27)
InChIKeyNUBNJWXNXZWDMT-UHFFFAOYSA-N
XLogP4.80
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide
CID 118197732
(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate
CID 118203835
3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 152834497
1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone
CID 152814673
4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole
CID 22718134
3-methyl-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxybenzamide
CID 122653037
5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 149417288
(4-fluorophenyl) N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxy]phenyl]carbamate
CID 123972789
4,4,4-trifluoro-3-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyanilino]-N-(4-fluorophenyl)butanamide
CID 25054601
3-(4-fluorophenyl)-N-[3-methyl-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 118203929
N-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 133316461
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44565221

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine?
The IUPAC name of N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine (CID 134423579) is N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine is Cn1cnc(-c2cc(Oc3ccc(Nc4ncccn4)cc3F)c3cccn3c2)c1.
What is the InChIKey of N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine?
The InChIKey is NUBNJWXNXZWDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-28-13-18(26-14-28)15-10-21(19-4-2-9-29(19)12-15)30-20-6-5-16(11-17(20)23)27-22-24-7-3-8-25-22/h2-14H,1H3,(H,24,25,27).
What are the key properties of N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine?
N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine has a molecular weight of 400.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine is sourced from PubChem (CID 134423579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).