N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide

C23H21FN6O2 — CID 90095583

IUPACN-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide
SMILESCc1cnc(-c2cc(F)cc(OCC(=O)NC3CC3)c2)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H21FN6O2/c1-13-10-25-23(29-22(13)28-18-4-5-20-15(7-18)11-26-30-20)14-6-16(24)9-19(8-14)32-12-21(31)27-17-2-3-17/h4-11,17H,2-3,12H2,1H3,(H,26,30)(H,27,31)(H,25,28,29)
InChIKeyRIQGLJKOFISFII-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.87
Rot. Bonds7

About N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide

N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide (PubChem CID 90095583) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide
PubChem CID90095583
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide
SMILESCc1cnc(-c2cc(F)cc(OCC(=O)NC3CC3)c2)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H21FN6O2/c1-13-10-25-23(29-22(13)28-18-4-5-20-15(7-18)11-26-30-20)14-6-16(24)9-19(8-14)32-12-21(31)27-17-2-3-17/h4-11,17H,2-3,12H2,1H3,(H,26,30)(H,27,31)(H,25,28,29)
InChIKeyRIQGLJKOFISFII-UHFFFAOYSA-N
XLogP3.87
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(4-amino-3-methanimidoylanilino)-5-methylpyrimidin-2-yl]-5-fluorophenoxy]-N-cyclopropylacetamide
CID 153205189
2-[3-[4-(4-amino-3-methanimidoylanilino)-5-methylpyrimidin-2-yl]-4-fluorophenoxy]-N-cyclopropylacetamide
CID 144602516
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide
CID 153329044
(E)-N-(2-fluorocyclopropyl)-3-[3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenyl]prop-2-enamide
CID 166983780
(E)-N-(2,2-difluorocyclopropyl)-3-[3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenyl]prop-2-enamide
CID 166983879
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
CID 11950700
N-cyclobutyl-2-[3-[6-methyl-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 159077163
2-[3-[7-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227876
3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylpropanamide
CID 139365631
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide (CID 90095583) is N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide is Cc1cnc(-c2cc(F)cc(OCC(=O)NC3CC3)c2)nc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
The InChIKey is RIQGLJKOFISFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-13-10-25-23(29-22(13)28-18-4-5-20-15(7-18)11-26-30-20)14-6-16(24)9-19(8-14)32-12-21(31)27-17-2-3-17/h4-11,17H,2-3,12H2,1H3,(H,26,30)(H,27,31)(H,25,28,29).
What are the key properties of N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide has a molecular weight of 432.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-fluoro-5-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 90095583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).