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

C23H21FN6O2 — CID 118324253

IUPACN-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide
SMILESCc1cnc(-c2cc(OCC(=O)NC3CC3)ccc2F)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H21FN6O2/c1-13-10-25-23(29-22(13)28-16-4-7-20-14(8-16)11-26-30-20)18-9-17(5-6-19(18)24)32-12-21(31)27-15-2-3-15/h4-11,15H,2-3,12H2,1H3,(H,26,30)(H,27,31)(H,25,28,29)
InChIKeyHUZSPSSRLOXEJD-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.87
Rot. Bonds7

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

N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide (PubChem CID 118324253) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide
PubChem CID118324253
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide
SMILESCc1cnc(-c2cc(OCC(=O)NC3CC3)ccc2F)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H21FN6O2/c1-13-10-25-23(29-22(13)28-16-4-7-20-14(8-16)11-26-30-20)18-9-17(5-6-19(18)24)32-12-21(31)27-15-2-3-15/h4-11,15H,2-3,12H2,1H3,(H,26,30)(H,27,31)(H,25,28,29)
InChIKeyHUZSPSSRLOXEJD-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide (CID 118324253) is N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide is Cc1cnc(-c2cc(OCC(=O)NC3CC3)ccc2F)nc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
The InChIKey is HUZSPSSRLOXEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-13-10-25-23(29-22(13)28-16-4-7-20-14(8-16)11-26-30-20)18-9-17(5-6-19(18)24)32-12-21(31)27-15-2-3-15/h4-11,15H,2-3,12H2,1H3,(H,26,30)(H,27,31)(H,25,28,29).
What are the key properties of N-cyclopropyl-2-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide?
N-cyclopropyl-2-[4-fluoro-3-[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-[4-fluoro-3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 118324253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).