(2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide

C23H20FN5O2 — CID 70712747

IUPAC(2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide
SMILESN[C@H](C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(Oc3cccnc3)c12)C1CC1
InChIInChI=1S/C23H20FN5O2/c24-15-8-10-16(11-9-15)29-18-4-1-5-19(31-17-3-2-12-26-13-17)20(18)22(28-29)27-23(30)21(25)14-6-7-14/h1-5,8-14,21H,6-7,25H2,(H,27,28,30)/t21-/m0/s1
InChIKeyZOHZJSLOZPRJID-NRFANRHFSA-N
MW417.44 g/mol
LogP4.03
Rot. Bonds6

About (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide

(2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide (PubChem CID 70712747) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide
PubChem CID70712747
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name(2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide
SMILESN[C@H](C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(Oc3cccnc3)c12)C1CC1
InChIInChI=1S/C23H20FN5O2/c24-15-8-10-16(11-9-15)29-18-4-1-5-19(31-17-3-2-12-26-13-17)20(18)22(28-29)27-23(30)21(25)14-6-7-14/h1-5,8-14,21H,6-7,25H2,(H,27,28,30)/t21-/m0/s1
InChIKeyZOHZJSLOZPRJID-NRFANRHFSA-N
XLogP4.03
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide?
The IUPAC name of (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide (CID 70712747) is (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide?
The canonical SMILES for (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide is N[C@H](C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(Oc3cccnc3)c12)C1CC1.
What is the InChIKey of (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide?
The InChIKey is ZOHZJSLOZPRJID-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-15-8-10-16(11-9-15)29-18-4-1-5-19(31-17-3-2-12-26-13-17)20(18)22(28-29)27-23(30)21(25)14-6-7-14/h1-5,8-14,21H,6-7,25H2,(H,27,28,30)/t21-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide?
(2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide has a molecular weight of 417.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)-4-pyridin-3-yloxyindazol-3-yl]acetamide is sourced from PubChem (CID 70712747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).